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Venues (Conferences, Journals, ...)
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GrowBag graphs for keyword ? (Num. hits/coverage)
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The graphs summarize 751 occurrences of 513 keywords
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Results
Found 2712 publication records. Showing 2712 according to the selection in the facets
Hits ?▲ |
Authors |
Title |
Venue |
Year |
Link |
Author keywords |
113 | Sam Bryfczynski |
OrganicPad: a tablet PC based chemistry tool. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ACM Southeast Regional Conference ![In: Proceedings of the 46th Annual Southeast Regional Conference, 2008, Auburn, Alabama, USA, March 28-29, 2008, pp. 523-524, 2008, ACM, 978-1-60558-105-7. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
74 | André Severo Pereira Gomes, André Merzky, Lucas Visscher |
A Framework for Execution of Computational Chemistry Codes in Grid Environments. ![Search on Bibsonomy](Pics/bibsonomy.png) |
International Conference on Computational Science (3) ![In: Computational Science - ICCS 2006, 6th International Conference, Reading, UK, May 28-31, 2006, Proceedings, Part III, pp. 97-104, 2006, Springer, 3-540-34383-0. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
Grid(lab) Application Toolkit, Command–line Interface, Grid Computing, Heterogeneous Environment, Computational Chemistry |
69 | Nalini Bhushan |
What is a chemical property? ![Search on Bibsonomy](Pics/bibsonomy.png) |
Synth. ![In: Synth. 155(3), pp. 293-305, 2007. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
Philosophy of chemistry, Chemistry, Property |
67 | Na Li, Leilei Zhu, Prasenjit Mitra, Karl T. Mueller, Eric Poweleit, C. Lee Giles |
oreChem ChemXSeer: a semantic digital library for chemistry. ![Search on Bibsonomy](Pics/bibsonomy.png) |
JCDL ![In: Proceedings of the 2010 Joint International Conference on Digital Libraries, JCDL 2010, Gold Coast, Queensland, Australia, June 21-25, 2010, pp. 245-254, 2010, ACM, 978-1-4503-0085-8. The full citation details ...](Pics/full.jpeg) |
2010 |
DBLP DOI BibTeX RDF |
ChemXSeer, seersuite, semantic web, support vector machines, digital library, metadata extraction, oai-ore |
61 | Gary D. Black, Karen Schuchardt, Deborah K. Gracio, Bruce J. Palmer |
The Extensible Computational Chemistry Environment: A Problem Solving Environment for High Performance Theoretical Chemistry. ![Search on Bibsonomy](Pics/bibsonomy.png) |
International Conference on Computational Science ![In: Computational Science - ICCS 2003, International Conference, Melbourne, Australia and St. Petersburg, Russia, June 2-4, 2003. Proceedings, Part IV, pp. 122-131, 2003, Springer, 3-540-40197-0. The full citation details ...](Pics/full.jpeg) |
2003 |
DBLP DOI BibTeX RDF |
|
60 | Roald Hoffmann |
What might philosophy of science look like if chemists built it? ![Search on Bibsonomy](Pics/bibsonomy.png) |
Synth. ![In: Synth. 155(3), pp. 321-336, 2007. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
Philosphy of science, Philosphy of chemistry, Chemistry |
58 | Jürgen Brickmann, Wolfgang Heiden, Horst Vollhardt, Carl-Dieter Zachmann |
New man-machine communication strategies in molecular modelling. ![Search on Bibsonomy](Pics/bibsonomy.png) |
HICSS (5) ![In: 28th Annual Hawaii International Conference on System Sciences (HICSS-28), January 3-6, 1995, Kihei, Maui, Hawaii, USA, pp. 273-284, 1995, IEEE Computer Society, 0-8186-6945-4. The full citation details ...](Pics/full.jpeg) |
1995 |
DBLP DOI BibTeX RDF |
man-machine communication strategies, intermolecular interactions, attractive force, repulsive force, local hydrophobicity, surface topography, surface flexibility, molecular recognition, model scenarios, user interfaces, computer graphics, computer graphics, texture mapping, interactive systems, biology computing, chemistry, chemistry, correlation analysis, molecular modelling, chemistry computing, molecular surfaces, molecular surface, surface roughness, color coding, interactive computer graphics, molecular biophysics |
58 | Wolf-Dietrich Ihlenfeldt, Yoshimasa Takahashi, Hidetsugu Abe |
Dataflow processing in a global networked context: a solution for the computational methods pool management problem. ![Search on Bibsonomy](Pics/bibsonomy.png) |
HICSS (5) ![In: 28th Annual Hawaii International Conference on System Sciences (HICSS-28), January 3-6, 1995, Kihei, Maui, Hawaii, USA, pp. 227-236, 1995, IEEE Computer Society, 0-8186-6945-4. The full citation details ...](Pics/full.jpeg) |
1995 |
DBLP DOI BibTeX RDF |
dataflow processing, global networked context, computational methods, pool management problem, extensible networked environment, chemical data visualization, flexible data manager, algorithmic module databases, chemical information, programming environments, database management systems, visual programming, data analysis, data analysis, data visualisation, chemistry, data flow computing, chemistry computing, visual programming environment, computational chemistry |
58 | Yun Jang, Ugo Varetto |
Interactive Volume Rendering of Functional Representations in Quantum Chemistry. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IEEE Trans. Vis. Comput. Graph. ![In: IEEE Trans. Vis. Comput. Graph. 15(6), pp. 1579-1588, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
|
56 | Morten Fjeld, Benedikt M. Voegtli |
Augmented Chemistry: An Interactive Educational Workbench. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ISMAR ![In: 2002 IEEE / ACM International Symposium on Mixed and Augmented Reality (ISMAR 2002), 30 September - 1 October 2002, Darmstadt, Germany, pp. 259-260, 2002, IEEE Computer Society, 0-7695-1781-1. The full citation details ...](Pics/full.jpeg) |
2002 |
DBLP DOI BibTeX RDF |
AR educational application, chemistry education, display hardware, haptic and aural augmentation, tangible user interface (TUI) |
54 | Thomas Gläser, Jens Franke, Götz Wintergerst, Ron Jagodzinski |
Chemieraum: tangible chemistry in exhibition space. ![Search on Bibsonomy](Pics/bibsonomy.png) |
TEI ![In: Proceedings of the 3rd International Conference on Tangible and Embedded Interaction 2009, Cambridge, UK, February 16-18, 2009, pp. 285-288, 2009, ACM, 978-1-60558-493-5. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
chemistry education, haptic input device, interactive media installation, organic chemistry, reference to everyday life, interaction techniques, tangible user interfaces, tabletop interfaces, molecular modelling, responsive environment |
52 | Adalbert Kerber, Reinhard Laue, Thomas Wieland |
Discrete mathematics for combinatorial chemistry. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 225-234, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
49 | Tom Woo |
How Do We Simulate Things at the Scale of Molecules and Electrons? An Introduction to the Technology and HPC Aspects of Computational Chemistry. ![Search on Bibsonomy](Pics/bibsonomy.png) |
HPCS ![In: 22nd Annual International Symposium on High Performance Computing Systems and Applications (HPCS 2008), June 9-11, 2008, Québec City, Canada, pp. 3, 2008, IEEE Computer Society, 978-0-7695-3250-9. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
49 | Luca Cardelli |
From Processes to ODEs by Chemistry. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IFIP TCS ![In: Fifth IFIP International Conference On Theoretical Computer Science - TCS 2008, IFIP 20th World Computer Congress, TC 1, Foundations of Computer Science, September 7-10, 2008, Milano, Italy, pp. 261-281, 2008, Springer, 978-0-387-09679-7. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
49 | Antonio Laganà, Antonio Riganelli, Osvaldo Gervasi, P. Yates, K. Wahala, R. Salzer, E. Varella, Johannes Froehlich |
ELCHEM: A Metalaboratory to Develop Grid e-Learning Technologies and Services for Chemistry. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICCSA (1) ![In: Computational Science and Its Applications - ICCSA 2005, International Conference, Singapore, May 9-12, 2005, Proceedings, Part I, pp. 938-946, 2005, Springer, 3-540-25860-4. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
|
49 | Takeshi Nishikawa, Umpei Nagashima, Satoshi Sekiguchi |
Design and Implementation of Intelligent Scheduler for Gaussian Portal on Quantum Chemistry Grid. ![Search on Bibsonomy](Pics/bibsonomy.png) |
International Conference on Computational Science ![In: Computational Science - ICCS 2003, International Conference, Melbourne, Australia and St. Petersburg, Russia, June 2-4, 2003. Proceedings, Part III, pp. 244-253, 2003, Springer, 3-540-40196-2. The full citation details ...](Pics/full.jpeg) |
2003 |
DBLP DOI BibTeX RDF |
|
47 | Halimah Badioze Zaman, Norasiken Bakar, Azlina Ahmad, Riza Sulaiman, Haslina Arshad, Nor Faezah Mohd. Yatim |
Virtual Visualisation Laboratory for Science and Mathematics Content (Vlab-SMC) with Special Reference to Teaching and Learning of Chemistry. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IVIC ![In: Visual Informatics: Bridging Research and Practice, First International Visual Informatics Conference, IVIC 2009, Kuala Lumpur, Malaysia, November 11-13, 2009, Proceedings, pp. 356-370, 2009, Springer, 978-3-642-05035-0. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
Visualization laboratory, Chemistry Teaching and Learning, Virtual Learning, Virtual laboratory |
47 | Mune-aki Sakamoto, Masakatsu Matsuishi |
Hands-On Training for Chemistry Laboratory in a Ubiquitous Computing Environment. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SUTC ![In: IEEE International Conference on Sensor Networks, Ubiquitous, and Trustworthy Computing (SUTC 2008), 11-13 June 2008, Taichung, Taiwan, pp. 561-563, 2008, IEEE Computer Society, 978-0-7695-3158-8. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
chemistry laboratory, e-Learning, ubiquitous learning, frame rate |
47 | Meng-Shiou Wu, Hirotoshi Mori, Jonathan L. Bentz, Theresa L. Windus, Heather Netzloff, Masha Sosonkina, Mark S. Gordon |
Constructing a performance database for large-scale quantum chemistry packages. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SpringSim ![In: Proceedings of the 2008 Spring Simulation Multiconference, SpringSim 2008, Ottawa, Canada, April 14-17, 2008, pp. 393-400, 2008, SCS/ACM, 1-56555-319-5. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
computational quality of service, performance database, quantum chemistry, common component architecture |
47 | Kazuto Tominaga, Masafumi Setomoto |
An Artificial-Chemistry Approach to Generating Polyphonic Musical Phrases. ![Search on Bibsonomy](Pics/bibsonomy.png) |
EvoWorkshops ![In: Applications of Evolutionary Computing, EvoWorkshops 2008: EvoCOMNET, EvoFIN, EvoHOT, EvoIASP, EvoMUSART, EvoNUM, EvoSTOC, and EvoTransLog, Naples, Italy, March 26-28, 2008. Proceedings, pp. 463-472, 2008, Springer, 978-3-540-78760-0. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
polyphony, counterpoint, trial and error, music composition, artificial chemistry |
47 | Thomas Meyer 0004, Lidia Yamamoto, Christian F. Tschudin |
An Artificial Chemistry for Networking. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BIOWIRE ![In: Bio-Inspired Computing and Communication, First Workshop on Bio-Inspired Design of Networks, BIOWIRE 2007, Cambridge, UK, April 2-5, 2007, Revised Selected Papers, pp. 45-57, 2007, Springer, 978-3-540-92190-5. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
Fraglets, load balancing, distributed algorithms, network protocols, artificial chemistry |
47 | Rion Dooley, Kent F. Milfeld, Chona Guiang, Sudhakar Pamidighantam, Gabrielle Allen |
From Proposal to Production: Lessons Learned Developing the Computational Chemistry Grid Cyberinfrastructure. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Grid Comput. ![In: J. Grid Comput. 4(2), pp. 195-208, 2006. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
GridChem, CCG, MolPro, NWchem, GAMESS, Grid, Cyberinfrastructure, Chemistry, Gaussian |
47 | Gil Benkö, Christoph Flamm, Peter F. Stadler |
Explicit Collision Simulation of Chemical Reactions in a Graph Based Artificial Chemistry. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ECAL ![In: Advances in Artificial Life, 8th European Conference, ECAL 2005, Canterbury, UK, September 5-9, 2005, Proceedings, pp. 725-733, 2005, Springer, 3-540-28848-1. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
Elementary Reactions, Energy Conservation, Artificial Chemistry |
46 | Noriyuki Amari, Kazuto Tominaga |
Simulation Minus One Makes a Game. ![Search on Bibsonomy](Pics/bibsonomy.png) |
EvoWorkshops ![In: Applications of Evolutionary Computing, EvoWorkshops 2009: EvoCOMNET, EvoENVIRONMENT, EvoFIN, EvoGAMES, EvoHOT, EvoIASP, EvoINTERACTION, EvoMUSART, EvoNUM, EvoSTOC, EvoTRANSLOG, Tübingen, Germany, April 15-17, 2009. Proceedings, pp. 273-282, 2009, Springer, 978-3-642-01128-3. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
|
46 | Peter Ingwersen, Daisy Jacobs |
South African research in selected scientific areas: Status 1981-2000. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Scientometrics ![In: Scientometrics 59(3), pp. 405-423, 2004. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
|
46 | Erica Harvey, Chaim Gingold |
Haptic Representation of the Atom. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IV ![In: International Conference on Information Visualisation, IV 2000, London, England, UK, July 19-21, 2000, pp. 232-238, 2000, IEEE Computer Society, 0-7695-0743-3. The full citation details ...](Pics/full.jpeg) |
2000 |
DBLP DOI BibTeX RDF |
|
45 | Denise M. Koch, Ann M. English, Gilles H. Peslherbe |
Computational Investigation of Protein Chemistry: "S-Nitrosohemoglobin". ![Search on Bibsonomy](Pics/bibsonomy.png) |
HPCS ![In: 22nd Annual International Symposium on High Performance Computing Systems and Applications (HPCS 2008), June 9-11, 2008, Québec City, Canada, pp. 17, 2008, IEEE Computer Society, 978-0-7695-3250-9. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
large-scale QM/MM calculations, protein chemistry, nitric oxide, Quantum chemistry |
43 | Gianfranco Cerofolini, Paolo Amato |
Fuzzy Chemistry - An Axiomatic Theory for General Chemistry. ![Search on Bibsonomy](Pics/bibsonomy.png) |
FUZZ-IEEE ![In: FUZZ-IEEE 2007, IEEE International Conference on Fuzzy Systems, Imperial College, London, UK, 23-26 July, 2007, Proceedings, pp. 1-6, 2007, IEEE. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
42 | Eric Cancès, Claude Le Bris, Yvon Maday, Gabriel Turinici |
Towards Reduced Basis Approaches in ab initio Electronic Structure Computations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Sci. Comput. ![In: J. Sci. Comput. 17(1-4), pp. 461-469, 2002. The full citation details ...](Pics/full.jpeg) |
2002 |
DBLP DOI BibTeX RDF |
reduced basis, Hartree-Fock equations, ab initio chemistry, a posteriori numerical analysis, quantum chemistry |
42 | William T. Rankin, John A. Board Jr. |
A Portable Distributed Implementation of the Parallel Multipole Tree Algorithm. ![Search on Bibsonomy](Pics/bibsonomy.png) |
HPDC ![In: Proceedings of the 4th International Symposium on High Performance Distributed Computing (HPDC '95), Washington, DC, USA, August 2-4, 1995., pp. 17-22, 1995, IEEE Computer Society, 0-8186-7088-6. The full citation details ...](Pics/full.jpeg) |
1995 |
DBLP DOI BibTeX RDF |
astronomy computing, portable distributed implementation, parallel multipole tree algorithm, loosely coupled networks, tightly coupled distributed multiprocessors, parallel algorithms, multiprocessing systems, chemistry computing, computational chemistry |
40 | Pierre Hansen, Patrick W. Fowler, Maolin Zheng (eds.) |
Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998 ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![DIMACS/AMS, 978-0-8218-0987-7 The full citation details ...](Pics/full.jpeg) |
2000 |
DBLP DOI BibTeX RDF |
|
40 | |
Participants. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. xi-, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP BibTeX RDF |
|
40 | Fuji Zhang, Huaien Li |
On maximal energy ordering of acyclic conjugated molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 385-392, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Bo Tao Fan, Annick Panaye, Jianhua Yao 0002, Shengang Yuan, Jean-Pierre Doucet |
Geometric symmetry and chemical equivalence. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 129-138, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Helgo M. Ohlenbusch, Nicolas Rivier, Tomaso Aste, Benoit Dubertret |
Random networks in two dimensions. Simulations and correlations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 279-292, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Humberto Terrones Maldonado, Mauricio Terrones Maldonado |
Geometry and energetics of high genus fullerenes and nanotubes. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 333-342, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Olaf Delgado-Friedrichs, Marián Deza |
More icosahedral fulleroids. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 97-115, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Ray Hefferlin |
Numerical solutions of the Laplace equation in chemical spaces. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 199-201, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Andrew V. Zeigarnik |
On hypercycles and hypercircuits in hypergraphs. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 377-383, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Charles M. Quinn, David B. Redmond, Patrick W. Fowler |
Group and graph theoretical perspectives on the structures of large icosahedral cages. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 293-303, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Patrick W. Fowler, Tomaz Pisanski, Ante Graovac, Janez Zerovnik |
A generalized ring spiral algorithm for coding fullerenes and other cubic polyhedra. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 175-187, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | |
Foreword. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. xv-, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP BibTeX RDF |
|
40 | |
Preface. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. xvii-, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP BibTeX RDF |
|
40 | Hernán G. Abeledo, Gary W. Atkinson |
The Clar and Fries problems for benzenoid hydrocarbons are linear programs. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 1-8, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Olaf Delgado-Friedrichs |
Fast embeddings for planar molecular graphs. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 85-95, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Peter Rowlinson |
Star sets and star complements in finite graphs: A spectral construction technique. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 323-332, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Joseph Malkevitch |
Geometrical and combinatorial questions about fullerenes. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 261-266, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Sandi Klavzar |
Applications of isometric embeddings to chemical graphs. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 249-259, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Philippe Vismara, Claude Laurenço |
An abstract representation for molecular graphs. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 343-366, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Robert Bruce King |
Carbon networks on cubic infinite periodic minimal surfaces. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 235-248, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Subhash C. Basak, Brian D. Gute |
Use of graph invariants in QMSA and predictive toxicology. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 9-24, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | |
Contributing Authors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. xiii-, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP BibTeX RDF |
|
40 | Stephen T. Hyde, Stuart Ramsden |
Chemical frameworks and hyperbolic tilings. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 203-224, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Laimutis Bytautas, Douglas J. Klein, Milan Randic, Tomaz Pisanski |
Foldedness in linear polymers: A difference between graphical and Euclidean distances. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 39-61, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Gilles Caporossi, Pierre Hansen, Maolin Zheng |
Enumeration of fusenes to h = 20. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 63-78, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Gunnar Brinkmann |
Isomorphism rejection in structure generation programs. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 25-38, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Dragos M. Cvetkovic |
Characterizing properties of some graph invariants related to electron charges in the Hückel molecular orbital theory. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 79-84, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Xiaofeng Guo, Milan Randic |
An efficient algorithm for determining fixed bonds and normal components in a bipartite graph. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 189-197, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Jörg M. Wills |
The Wulff-shape of large periodic sphere packings. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 367-375, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Paul G. Mezey |
Topological methods of molecular shape analysis: Continuum models and discretization. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 267-278, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Milan Randic, Xiaofeng Guo, Sol Bobst |
Use of path matrices for a characterization of molecular structures. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 305-322, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Patrick W. Fowler, Peter E. John, Horst Sachs |
(3-6)-cages, hexagonal toroidal cages, and their spectra. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 139-174, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | Andreas Dietz, Christophe Fiorio, Michel Habib, Claude Laurenço |
Representation of stereochemistry using combinatorial maps. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. 117-128, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP DOI BibTeX RDF |
|
40 | |
Dedication. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discrete Mathematical Chemistry ![In: Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998, pp. xix-, 1998, DIMACS/AMS, 978-0-8218-0987-7. The full citation details ...](Pics/full.jpeg) |
1998 |
DBLP BibTeX RDF |
|
40 | Li Li, Joseph P. Kenny, Meng-Shiou Wu, Kevin A. Huck, Alexander Gaenko, Mark S. Gordon, Curtis L. Janssen, Lois C. McInnes, Hirotoshi Mori, Heather Netzloff, Boyana Norris, Theresa L. Windus |
Adaptive Application Composition in Quantum Chemistry. ![Search on Bibsonomy](Pics/bibsonomy.png) |
QoSA ![In: Architectures for Adaptive Software Systems, 5th International Conference on the Quality of Software Architectures, QoSA 2009, East Stroudsburg, PA, USA, June 24-26, 2009, Proceedings, pp. 194-211, 2009, Springer, 978-3-642-02350-7. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
|
40 | Florian Boudin, Juan-Manuel Torres-Moreno, Patricia Velázquez-Morales |
An Efficient Statistical Approach for Automatic Organic Chemistry Summarization. ![Search on Bibsonomy](Pics/bibsonomy.png) |
GoTAL ![In: Advances in Natural Language Processing, 6th International Conference, GoTAL 2008, Gothenburg, Sweden, August 25-27, 2008, Proceedings, pp. 89-99, 2008, Springer, 978-3-540-85286-5. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
40 | Ponnadurai Ramasami |
3rd Workshop on Computational Chemistry and Its Applications (3rd CCA). ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICCS (2) ![In: Computational Science - ICCS 2008, 8th International Conference, Kraków, Poland, June 23-25, 2008, Proceedings, Part II, pp. 343, 2008, Springer, 978-3-540-69386-4. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
40 | Basavaraj Shivappa Kademani, Vijai Kumar, Ganesh Surwase, Anil Sagar, Lalit Mohan, Anil Kumar, C. R. Gaderao |
Research and citation impact of publications by the Chemistry Division at Bhabha Atomic Research Centre. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Scientometrics ![In: Scientometrics 71(1), pp. 25-57, 2007. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
40 | Alexandru T. Balaban, Douglas J. Klein |
Is chemistry 'TheCentral Science'? How are different sciences related? Co-citations, reductionism, emergence, and posets. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Scientometrics ![In: Scientometrics 69(3), pp. 615-637, 2006. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
|
40 | Mario Valle |
Representations that promote cognition: the case of chemistry visualization tools. ![Search on Bibsonomy](Pics/bibsonomy.png) |
APGV ![In: Proceedings of the 3rd Symposium on Applied Perception in Graphics and Visualization, APGV 2006, Boston, Massachusetts, USA, July 28-29, 2006, pp. 158, 2006, ACM, 1-59593-429-4. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
usability, molecular visualization |
40 | Joseph P. Kenny, Curtis L. Janssen, Ida M. B. Nielsen, Manojkumar Krishnan, Vidhya Gurumoorthi, Edward F. Valeev, Theresa L. Windus |
Poster reception - Component architectures for quantum chemistry: forging new capabilities and insights. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SC ![In: Proceedings of the ACM/IEEE SC2006 Conference on High Performance Networking and Computing, November 11-17, 2006, Tampa, FL, USA, pp. 137, 2006, ACM Press, 0-7695-2700-0. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
|
40 | Zhongwu Zhou, Feng Wang, Billy D. Todd |
Development of Chemistry Portal for Grid-enabled Molecular Science. ![Search on Bibsonomy](Pics/bibsonomy.png) |
e-Science ![In: First International Conference on e-Science and Grid Technologies (e-Science 2005), 5-8 December 2005, Melbourne, Australia, pp. 48-55, 2005, IEEE Computer Society, 0-7695-2448-6. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
|
38 | Rui Yang 0005, Jie Cai, Alistair P. Rendell, V. Ganesh |
Use of Cluster OpenMP with the Gaussian Quantum Chemistry Code: A Preliminary Performance Analysis. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IWOMP ![In: Evolving OpenMP in an Age of Extreme Parallelism, 5th International Workshop on OpenMP, IWOMP 2009, Dresden, Germany, June 3-5, 2009, Proceedings, pp. 53-62, 2009, Springer, 978-3-642-02284-5. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
Cluster OpenMP, quantum chemistry code, performance |
38 | Marian Bobrik, Vladimir Kvasnicka, Jiri Pospichal |
Artificial Chemistry and Molecular Darwinian Evolution of DNA/RNA-Like Systems II - Programmable folding. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Computational Intelligence in Medical Informatics ![In: Computational Intelligence in Medical Informatics, pp. 337-373, 2008, Springer, 978-3-540-75766-5. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
Eigen theory of replicators, Molecular Darwinian evolution, Neutral mutations, Neutral evolution, Typogenetics, hypercycle, replicator, Artificial life, Fitness landscape, Artificial chemistry, strand, evolutionary method |
38 | Marian Bobrik, Vladimir Kvasnicka, Jiri Pospichal |
Artificial Chemistry and Molecular Darwinian Evolution of DNA/RNA-Like Systems I - Typogenetics and Chemostat. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Computational Intelligence in Medical Informatics ![In: Computational Intelligence in Medical Informatics, pp. 295-336, 2008, Springer, 978-3-540-75766-5. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
Eigen theory of replicators, Molecular Darwinian evolution, Neutral mutations, Neutral evolution, Typogenetics, hypercycle, replicator, Artificial life, Fitness landscape, Artificial chemistry, strand, evolutionary method |
38 | Sam Bryfczynski |
OrganicPad: a tablet PC based chemistry tool. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ACM Southeast Regional Conference ![In: Proceedings of the 46th Annual Southeast Regional Conference, 2008, Auburn, Alabama, USA, March 28-29, 2008, pp. 162-165, 2008, ACM, 978-1-60558-105-7. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
lewis structures, organic chemistry, tablet PC, graph isomorphism |
38 | Pete P. Janes, Alistair P. Rendell |
Including Rigorous Numerical Bounds in Quantum Chemistry Calculations: Gaussian Integral Evaluation. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CSE ![In: Proceedings of the 11th IEEE International Conference on Computational Science and Engineering, CSE 2008, São Paulo, SP, Brazil, July 16-18, 2008, pp. 75-82, 2008, IEEE Computer Society, 978-0-7695-3193-9. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
Error analysis, Interval arithmetic, Chemistry |
38 | Chris J. Martin 0002, Mohammed H. Haji, Peter M. Dew, Mike Pilling, Peter K. Jimack |
Semantically-Enhanced Model-Experiment-Evaluation Processes (SeMEEPs) within the Atmospheric Chemistry Community. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IPAW ![In: Provenance and Annotation of Data and Processes, Second International Provenance and Annotation Workshop, IPAW 2008, Salt Lake City, UT, USA, June 17-18, 2008. Revised Selected Papers, pp. 293-308, 2008, Springer, 978-3-540-89964-8. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
Atmospheric Chemistry, Provenance, Semantic Metadata, Model Development |
38 | Lee McIntyre |
Emergence and reduction in chemistry: ontological or epistemological concepts? ![Search on Bibsonomy](Pics/bibsonomy.png) |
Synth. ![In: Synth. 155(3), pp. 337-343, 2007. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
Philosophy of Chemistry, Ontology, Reduction, Emergence, Epistemology |
38 | Yu-Chien Chen |
A study of comparing the use of augmented reality and physical models in chemistry education. ![Search on Bibsonomy](Pics/bibsonomy.png) |
VRCIA ![In: Proceedings VRCIA 2006 ACM International Conference on Virtual Reality Continuum and its Applications, Chinese University of Hong Kong, Hong Kong, China, June 14-17, 2006, pp. 369-372, 2006, ACM, 1-59593-324-7. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
chemistry learning, augmented reality, physical model |
38 | Norasiken Bakar, Halimah Badioze Zaman |
Development and Design of 3D Virtual Laboratory for Chemistry Subject Based on Constructivism-Cognitivism-Contextual Approach. ![Search on Bibsonomy](Pics/bibsonomy.png) |
3D-GIS ![In: Innovations in 3D Geo Information Systems, First International Workshop on 3D Geoinformation, 7-8 August, 2006, Kuala Lumpur, Malaysia, pp. 567-588, 2006, Springer, 978-3-540-36997-4. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
Education Theory, Experiment, 3D, Virtual Laboratory, Chemistry, Learning by Doing |
37 | Eric Therrien, Pablo Englebienne, Andrew G. Arrowsmith, Rodrigo Mendoza-Sanchez, Christopher R. Corbeil, Nathanael Weill, Valérie Campagna-Slater, Nicolas Moitessier |
Integrating Medicinal Chemistry, Organic/Combinatorial Chemistry, and Computational Chemistry for the Discovery of Selective Estrogen Receptor Modulators with Forecaster, a Novel Platform for Drug Discovery. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 52(1), pp. 210-224, 2012. The full citation details ...](Pics/full.jpeg) |
2012 |
DBLP DOI BibTeX RDF |
|
36 | Teena P. Gulabani, Masha Sosonkina, Mark S. Gordon, Curtis L. Janssen, Joseph P. Kenny, Heather Netzloff, Theresa L. Windus |
Development of high performance scientific components for interoperability of computing packages. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SpringSim ![In: Proceedings of the 2009 Spring Simulation Multiconference, SpringSim 2009, San Diego, California, USA, March 22-27, 2009, 2009, SCS/ACM. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
NWChem, QM/MM modeling, TAU, interoperability, common component architecture |
33 | Maria Laura Mantovani, M. Malagoli |
Highly parallel SCF calculation: the SYSMO Program. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PDP ![In: 3rd Euromicro Workshop on Parallel and Distributed Processing (PDP '95), January 25-27, 1995, San Remo, Italy, pp. 502-507, 1995, IEEE Computer Society, 0-8186-7031-2. The full citation details ...](Pics/full.jpeg) |
1995 |
DBLP DOI BibTeX RDF |
LCAO calculations, SCF calculations, highly parallel SCF calculation, SYSMO program, Linear Combination of Atomic Orbitals Self Consistent Field algorithm, System Modena, single program multiple data level, parallel algorithms, scalability, Parallel Virtual Machine, parallel implementation, chemistry, chemistry computing |
33 | Herbert Edelsbrunner, Michael A. Facello, Ping Fu, Jie Liang |
Measuring proteins and voids in proteins. ![Search on Bibsonomy](Pics/bibsonomy.png) |
HICSS (5) ![In: 28th Annual Hawaii International Conference on System Sciences (HICSS-28), January 3-6, 1995, Kihei, Maui, Hawaii, USA, pp. 256-264, 1995, IEEE Computer Society, 0-8186-6945-4. The full citation details ...](Pics/full.jpeg) |
1995 |
DBLP DOI BibTeX RDF |
protein voids, space filling diagram, solvent accessible surface, metric properties, empty space, surface area contributions, 3-dimensional alpha complexes, inclusion-exclusion formulas, three dimensional alpha complexes, computational geometry, geometric models, diagrams, biology computing, proteins, proteins, chemistry, volume, chemistry computing, molecular surface, molecules, surface area |
33 | A. V. Dzyabchenko, Valery N. Agafonov |
Computer-aided design of crystalline drugs. ![Search on Bibsonomy](Pics/bibsonomy.png) |
HICSS (5) ![In: 28th Annual Hawaii International Conference on System Sciences (HICSS-28), January 3-6, 1995, Kihei, Maui, Hawaii, USA, pp. 237-245, 1995, IEEE Computer Society, 0-8186-6945-4. The full citation details ...](Pics/full.jpeg) |
1995 |
DBLP DOI BibTeX RDF |
crystal structure, crystalline drugs, crystal structure prediction, minimum-energy packings, observed space-group occurrence factors, crystal symmetry, multidimensional crystal-structure parameter space, cell parameters, rigid-body molecular parameters, accelerated convergence method, lattice energy, multi-step structure optimization technique, Packing of Molecules in Crystal, PMC program, implicit symmetry, CRYCOM, crystal comparison program, computational study, crystal structure polymorphism piracetam, metastable form, searching, CAD, computer-aided design, optimisation, polymorphism, chemistry, chemistry computing, search region |
33 | Valentina Di Francesco, Peter J. Munson, Jean Garnier |
Use of multiple alignments in protein secondary structure prediction. ![Search on Bibsonomy](Pics/bibsonomy.png) |
HICSS (5) ![In: 28th Annual Hawaii International Conference on System Sciences (HICSS-28), January 3-6, 1995, Kihei, Maui, Hawaii, USA, pp. 285-291, 1995, IEEE Computer Society, 0-8186-6945-4. The full citation details ...](Pics/full.jpeg) |
1995 |
DBLP DOI BibTeX RDF |
training datasets, homologous proteins, well-characterized prediction methods, jury method, quadratic-logistic method, related proteins, three state prediction, consensus predictions, gap-permissive positions, coil state, reduced noise, database, profiling, database management systems, COMBINE, biology computing, proteins, chemistry, secondary structure, prediction accuracy, chemistry computing, averaging, protein secondary structure prediction, multiple alignments |
33 | Gordon M. Crippen |
Intervals and the deduction of drug binding site models. ![Search on Bibsonomy](Pics/bibsonomy.png) |
HICSS (5) ![In: 28th Annual Hawaii International Conference on System Sciences (HICSS-28), January 3-6, 1995, Kihei, Maui, Hawaii, USA, pp. 246-255, 1995, IEEE Computer Society, 0-8186-6945-4. The full citation details ...](Pics/full.jpeg) |
1995 |
DBLP DOI BibTeX RDF |
chemical structure, drug binding site models, binding affinities, common receptor macromolecule, receptor, energetic features, common binding site, chemical structures, pharmacophore, bioactive conformations, conformational flexibility, stereospecific binding, qualitative binding data, chemically similar ligands, biology computing, intervals, chemistry, deduction, geometric features, chemistry computing, computer algorithm, drugs |
33 | Michael Teschner, Christian Henn |
Mapping volumetric properties on molecular surfaces in real-time. ![Search on Bibsonomy](Pics/bibsonomy.png) |
HICSS (5) ![In: 28th Annual Hawaii International Conference on System Sciences (HICSS-28), January 3-6, 1995, Kihei, Maui, Hawaii, USA, pp. 265-272, 1995, IEEE Computer Society, 0-8186-6945-4. The full citation details ...](Pics/full.jpeg) |
1995 |
DBLP DOI BibTeX RDF |
volumetric properties, solid molecular surface generation, three dimensional grid, template driven procedure, contact surface, Connolly surface, continuously tessellated geometry, computer graphics procedure, molecular property visualization, solid molecular surfaces, multidimensional color coding, property clipping, three dimensional textures, interactive color updates, static scalar field, real-time systems, real-time, computational geometry, texture mapping, interactive systems, information filtering, data visualisation, chemistry, chemistry computing, molecular surfaces, color coding, molecular biophysics |
31 | Costin Pribeanu, Dragos Daniel Iordache |
Evaluating the Motivational Value of an Augmented Reality System for Learning Chemistry. ![Search on Bibsonomy](Pics/bibsonomy.png) |
USAB ![In: HCI and Usability for Education and Work, 4th Symposium of the Workgroup Human-Computer Interaction and Usability Engineering of the Austrian Computer Society, USAB 2008, Graz, Austria, November 20-21, 2008. Proceedings, pp. 31-42, 2008, Springer, 978-3-540-89349-3. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
formative usability evaluation, augmented reality, user experience, user testing, educational software |
31 | Dimitra Tsovaltzi, Nikol Rummel, Niels Pinkwart, Andreas Harrer, Oliver Scheuer, Isabel Braun, Bruce M. McLaren |
CoChemEx: Supporting Conceptual Chemistry Learning Via Computer-Mediated Collaboration Scripts. ![Search on Bibsonomy](Pics/bibsonomy.png) |
EC-TEL ![In: Times of Convergence. Technologies Across Learning Contexts, Third European Conference on Technology Enhanced Learning, EC-TEL 2008, Maastricht, The Netherlands, September 16-19, 2008. Proceedings, pp. 437-448, 2008, Springer, 978-3-540-87604-5. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
31 | Anthony Scemama, Antonio Monari, Celestino Angeli, Stefano Borini, Stefano Evangelisti, Elda Rossi |
Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICCSA (1) ![In: Computational Science and Its Applications - ICCSA 2008, International Conference, Perugia, Italy, June 30 - July 3, 2008, Proceedings, Part I, pp. 1094-1107, 2008, Springer, 978-3-540-69838-8. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
31 | Alan Dorin, Kevin B. Korb |
Building Virtual Ecosystems from Artificial Chemistry. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ECAL ![In: Advances in Artificial Life, 9th European Conference, ECAL 2007, Lisbon, Portugal, September 10-14, 2007, Proceedings, pp. 103-112, 2007, Springer, 978-3-540-74912-7. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
31 | Jun Cao, Ayush Goyal, Samuel P. Midkiff, James M. Caruthers |
An Optimizing Compiler for Parallel Chemistry Simulations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IPDPS ![In: 21th International Parallel and Distributed Processing Symposium (IPDPS 2007), Proceedings, 26-30 March 2007, Long Beach, California, USA, pp. 1-10, 2007, IEEE. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
31 | Morten Fjeld, Jonas Fredriksson, Martin Ejdestig, Florin Duca, Kristina Bötschi, Benedikt M. Voegtli, Patrick Juchli |
Tangible user interface for chemistry education: comparative evaluation and re-design. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CHI ![In: Proceedings of the 2007 Conference on Human Factors in Computing Systems, CHI 2007, San Jose, California, USA, April 28 - May 3, 2007, pp. 805-808, 2007, ACM, 978-1-59593-593-9. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
octet rule, evaluation, education, augmented reality, tangible user interface, comparison |
31 | Peter T. Corbett, Peter Murray-Rust |
High-Throughput Identification of Chemistry in Life Science Texts. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CompLife ![In: Computational Life Sciences II, Second International Symposium, CompLife 2006, Cambridge, UK, September 27-29, 2006, Proceedings, pp. 107-118, 2006, Springer, 3-540-45767-4. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
|
31 | Manojkumar Krishnan, Yuri Alexeev, Theresa L. Windus, Jarek Nieplocha |
Multilevel Parallelism in Computational Chemistry using Common Component Architecture and Global Arrays. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SC ![In: Proceedings of the ACM/IEEE SC2005 Conference on High Performance Networking and Computing, November 12-18, 2005, Seattle, WA, USA, CD-Rom, pp. 23, 2005, IEEE Computer Society, 1-59593-061-2. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
|
31 | Ron Stevens, Amy Soller, Melanie M. Cooper, Marcia Sprang |
Modeling the Development of Problem Solving Skills in Chemistry with a Web-Based Tutor. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Intelligent Tutoring Systems ![In: Intelligent Tutoring Systems, 7th International Conference, ITS 2004, Maceiò, Alagoas, Brazil, August 30 - September 3, 2004, Proceedings, pp. 580-591, 2004, Springer, 3-540-22948-5. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
|
31 | Takeshi Yanai, Haruyuki Nakano, Takahito Nakajima, Takao Tsuneda, So Hirata, Yukio Kawashima, Yoshihide Nakao, Muneaki Kamiya, Hideo Sekino, Kimihiko Hirao |
UTChem - A Program for ab initio Quantum Chemistry. ![Search on Bibsonomy](Pics/bibsonomy.png) |
International Conference on Computational Science ![In: Computational Science - ICCS 2003, International Conference, Melbourne, Australia and St. Petersburg, Russia, June 2-4, 2003. Proceedings, Part IV, pp. 84-95, 2003, Springer, 3-540-40197-0. The full citation details ...](Pics/full.jpeg) |
2003 |
DBLP DOI BibTeX RDF |
|
31 | Brian F. Yates, Brian J. Duke |
Computational Quantum Chemistry Experiments via the Web. ![Search on Bibsonomy](Pics/bibsonomy.png) |
International Conference on Computational Science ![In: Computational Science - ICCS 2003, International Conference, Melbourne, Australia and St. Petersburg, Russia, June 2-4, 2003. Proceedings, Part IV, pp. 132-141, 2003, Springer, 3-540-40197-0. The full citation details ...](Pics/full.jpeg) |
2003 |
DBLP DOI BibTeX RDF |
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