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Publication years (Num. hits)
1957-1974 (15) 1975-1981 (18) 1982-1984 (19) 1985-1986 (15) 1987-1988 (24) 1989-1990 (28) 1991-1992 (29) 1993-1994 (34) 1995 (95) 1996 (34) 1997 (45) 1998 (66) 1999 (26) 2000 (55) 2001 (43) 2002 (48) 2003 (84) 2004 (72) 2005 (99) 2006 (103) 2007 (139) 2008 (133) 2009 (112) 2010 (63) 2011 (80) 2012 (99) 2013 (83) 2014 (84) 2015 (80) 2016 (78) 2017 (86) 2018 (85) 2019 (89) 2020 (107) 2021 (123) 2022 (130) 2023 (161) 2024 (28)
Publication types (Num. hits)
article(1381) book(8) data(1) incollection(42) inproceedings(1234) phdthesis(33) proceedings(13)
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Found 2712 publication records. Showing 2712 according to the selection in the facets
Hits ? Authors Title Venue Year Link Author keywords
113Sam Bryfczynski OrganicPad: a tablet PC based chemistry tool. Search on Bibsonomy ACM Southeast Regional Conference The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
74André Severo Pereira Gomes, André Merzky, Lucas Visscher A Framework for Execution of Computational Chemistry Codes in Grid Environments. Search on Bibsonomy International Conference on Computational Science (3) The full citation details ... 2006 DBLP  DOI  BibTeX  RDF Grid(lab) Application Toolkit, Command–line Interface, Grid Computing, Heterogeneous Environment, Computational Chemistry
69Nalini Bhushan What is a chemical property? Search on Bibsonomy Synth. The full citation details ... 2007 DBLP  DOI  BibTeX  RDF Philosophy of chemistry, Chemistry, Property
67Na Li, Leilei Zhu, Prasenjit Mitra, Karl T. Mueller, Eric Poweleit, C. Lee Giles oreChem ChemXSeer: a semantic digital library for chemistry. Search on Bibsonomy JCDL The full citation details ... 2010 DBLP  DOI  BibTeX  RDF ChemXSeer, seersuite, semantic web, support vector machines, digital library, metadata extraction, oai-ore
61Gary 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 International Conference on Computational Science The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
60Roald Hoffmann What might philosophy of science look like if chemists built it? Search on Bibsonomy Synth. The full citation details ... 2007 DBLP  DOI  BibTeX  RDF Philosphy of science, Philosphy of chemistry, Chemistry
58Jürgen Brickmann, Wolfgang Heiden, Horst Vollhardt, Carl-Dieter Zachmann New man-machine communication strategies in molecular modelling. Search on Bibsonomy HICSS (5) The full citation details ... 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
58Wolf-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 HICSS (5) The full citation details ... 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
58Yun Jang, Ugo Varetto Interactive Volume Rendering of Functional Representations in Quantum Chemistry. Search on Bibsonomy IEEE Trans. Vis. Comput. Graph. The full citation details ... 2009 DBLP  DOI  BibTeX  RDF
56Morten Fjeld, Benedikt M. Voegtli Augmented Chemistry: An Interactive Educational Workbench. Search on Bibsonomy ISMAR The full citation details ... 2002 DBLP  DOI  BibTeX  RDF AR educational application, chemistry education, display hardware, haptic and aural augmentation, tangible user interface (TUI)
54Thomas Gläser, Jens Franke, Götz Wintergerst, Ron Jagodzinski Chemieraum: tangible chemistry in exhibition space. Search on Bibsonomy TEI The full citation details ... 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
52Adalbert Kerber, Reinhard Laue, Thomas Wieland Discrete mathematics for combinatorial chemistry. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
49Tom 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 HPCS The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
49Luca Cardelli From Processes to ODEs by Chemistry. Search on Bibsonomy IFIP TCS The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
49Antonio 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 ICCSA (1) The full citation details ... 2005 DBLP  DOI  BibTeX  RDF
49Takeshi Nishikawa, Umpei Nagashima, Satoshi Sekiguchi Design and Implementation of Intelligent Scheduler for Gaussian Portal on Quantum Chemistry Grid. Search on Bibsonomy International Conference on Computational Science The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
47Halimah 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 IVIC The full citation details ... 2009 DBLP  DOI  BibTeX  RDF Visualization laboratory, Chemistry Teaching and Learning, Virtual Learning, Virtual laboratory
47Mune-aki Sakamoto, Masakatsu Matsuishi Hands-On Training for Chemistry Laboratory in a Ubiquitous Computing Environment. Search on Bibsonomy SUTC The full citation details ... 2008 DBLP  DOI  BibTeX  RDF chemistry laboratory, e-Learning, ubiquitous learning, frame rate
47Meng-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 SpringSim The full citation details ... 2008 DBLP  DOI  BibTeX  RDF computational quality of service, performance database, quantum chemistry, common component architecture
47Kazuto Tominaga, Masafumi Setomoto An Artificial-Chemistry Approach to Generating Polyphonic Musical Phrases. Search on Bibsonomy EvoWorkshops The full citation details ... 2008 DBLP  DOI  BibTeX  RDF polyphony, counterpoint, trial and error, music composition, artificial chemistry
47Thomas Meyer 0004, Lidia Yamamoto, Christian F. Tschudin An Artificial Chemistry for Networking. Search on Bibsonomy BIOWIRE The full citation details ... 2007 DBLP  DOI  BibTeX  RDF Fraglets, load balancing, distributed algorithms, network protocols, artificial chemistry
47Rion 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 J. Grid Comput. The full citation details ... 2006 DBLP  DOI  BibTeX  RDF GridChem, CCG, MolPro, NWchem, GAMESS, Grid, Cyberinfrastructure, Chemistry, Gaussian
47Gil Benkö, Christoph Flamm, Peter F. Stadler Explicit Collision Simulation of Chemical Reactions in a Graph Based Artificial Chemistry. Search on Bibsonomy ECAL The full citation details ... 2005 DBLP  DOI  BibTeX  RDF Elementary Reactions, Energy Conservation, Artificial Chemistry
46Noriyuki Amari, Kazuto Tominaga Simulation Minus One Makes a Game. Search on Bibsonomy EvoWorkshops The full citation details ... 2009 DBLP  DOI  BibTeX  RDF
46Peter Ingwersen, Daisy Jacobs South African research in selected scientific areas: Status 1981-2000. Search on Bibsonomy Scientometrics The full citation details ... 2004 DBLP  DOI  BibTeX  RDF
46Erica Harvey, Chaim Gingold Haptic Representation of the Atom. Search on Bibsonomy IV The full citation details ... 2000 DBLP  DOI  BibTeX  RDF
45Denise M. Koch, Ann M. English, Gilles H. Peslherbe Computational Investigation of Protein Chemistry: "S-Nitrosohemoglobin". Search on Bibsonomy HPCS The full citation details ... 2008 DBLP  DOI  BibTeX  RDF large-scale QM/MM calculations, protein chemistry, nitric oxide, Quantum chemistry
43Gianfranco Cerofolini, Paolo Amato Fuzzy Chemistry - An Axiomatic Theory for General Chemistry. Search on Bibsonomy FUZZ-IEEE The full citation details ... 2007 DBLP  DOI  BibTeX  RDF
42Eric Cancès, Claude Le Bris, Yvon Maday, Gabriel Turinici Towards Reduced Basis Approaches in ab initio Electronic Structure Computations. Search on Bibsonomy J. Sci. Comput. The full citation details ... 2002 DBLP  DOI  BibTeX  RDF reduced basis, Hartree-Fock equations, ab initio chemistry, a posteriori numerical analysis, quantum chemistry
42William T. Rankin, John A. Board Jr. A Portable Distributed Implementation of the Parallel Multipole Tree Algorithm. Search on Bibsonomy HPDC The full citation details ... 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
40Pierre Hansen, Patrick W. Fowler, Maolin Zheng (eds.) Discrete Mathematical Chemistry, Proceedings of a DIMACS Workshop, New Brunswick, New Jersey, USA, 1998 Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 2000 DBLP  DOI  BibTeX  RDF
40 Participants. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  BibTeX  RDF
40Fuji Zhang, Huaien Li On maximal energy ordering of acyclic conjugated molecules. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Bo Tao Fan, Annick Panaye, Jianhua Yao 0002, Shengang Yuan, Jean-Pierre Doucet Geometric symmetry and chemical equivalence. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Helgo M. Ohlenbusch, Nicolas Rivier, Tomaso Aste, Benoit Dubertret Random networks in two dimensions. Simulations and correlations. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Humberto Terrones Maldonado, Mauricio Terrones Maldonado Geometry and energetics of high genus fullerenes and nanotubes. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Olaf Delgado-Friedrichs, Marián Deza More icosahedral fulleroids. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Ray Hefferlin Numerical solutions of the Laplace equation in chemical spaces. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Andrew V. Zeigarnik On hypercycles and hypercircuits in hypergraphs. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Charles M. Quinn, David B. Redmond, Patrick W. Fowler Group and graph theoretical perspectives on the structures of large icosahedral cages. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Patrick W. Fowler, Tomaz Pisanski, Ante Graovac, Janez Zerovnik A generalized ring spiral algorithm for coding fullerenes and other cubic polyhedra. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40 Foreword. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  BibTeX  RDF
40 Preface. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  BibTeX  RDF
40Hernán G. Abeledo, Gary W. Atkinson The Clar and Fries problems for benzenoid hydrocarbons are linear programs. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Olaf Delgado-Friedrichs Fast embeddings for planar molecular graphs. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Peter Rowlinson Star sets and star complements in finite graphs: A spectral construction technique. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Joseph Malkevitch Geometrical and combinatorial questions about fullerenes. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Sandi Klavzar Applications of isometric embeddings to chemical graphs. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Philippe Vismara, Claude Laurenço An abstract representation for molecular graphs. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Robert Bruce King Carbon networks on cubic infinite periodic minimal surfaces. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Subhash C. Basak, Brian D. Gute Use of graph invariants in QMSA and predictive toxicology. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40 Contributing Authors. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  BibTeX  RDF
40Stephen T. Hyde, Stuart Ramsden Chemical frameworks and hyperbolic tilings. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Laimutis Bytautas, Douglas J. Klein, Milan Randic, Tomaz Pisanski Foldedness in linear polymers: A difference between graphical and Euclidean distances. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Gilles Caporossi, Pierre Hansen, Maolin Zheng Enumeration of fusenes to h = 20. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Gunnar Brinkmann Isomorphism rejection in structure generation programs. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Dragos M. Cvetkovic Characterizing properties of some graph invariants related to electron charges in the Hückel molecular orbital theory. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Xiaofeng Guo, Milan Randic An efficient algorithm for determining fixed bonds and normal components in a bipartite graph. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Jörg M. Wills The Wulff-shape of large periodic sphere packings. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Paul G. Mezey Topological methods of molecular shape analysis: Continuum models and discretization. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Milan Randic, Xiaofeng Guo, Sol Bobst Use of path matrices for a characterization of molecular structures. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Patrick W. Fowler, Peter E. John, Horst Sachs (3-6)-cages, hexagonal toroidal cages, and their spectra. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40Andreas Dietz, Christophe Fiorio, Michel Habib, Claude Laurenço Representation of stereochemistry using combinatorial maps. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
40 Dedication. Search on Bibsonomy Discrete Mathematical Chemistry The full citation details ... 1998 DBLP  BibTeX  RDF
40Li 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 QoSA The full citation details ... 2009 DBLP  DOI  BibTeX  RDF
40Florian Boudin, Juan-Manuel Torres-Moreno, Patricia Velázquez-Morales An Efficient Statistical Approach for Automatic Organic Chemistry Summarization. Search on Bibsonomy GoTAL The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
40Ponnadurai Ramasami 3rd Workshop on Computational Chemistry and Its Applications (3rd CCA). Search on Bibsonomy ICCS (2) The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
40Basavaraj 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 Scientometrics The full citation details ... 2007 DBLP  DOI  BibTeX  RDF
40Alexandru T. Balaban, Douglas J. Klein Is chemistry 'TheCentral Science'? How are different sciences related? Co-citations, reductionism, emergence, and posets. Search on Bibsonomy Scientometrics The full citation details ... 2006 DBLP  DOI  BibTeX  RDF
40Mario Valle Representations that promote cognition: the case of chemistry visualization tools. Search on Bibsonomy APGV The full citation details ... 2006 DBLP  DOI  BibTeX  RDF usability, molecular visualization
40Joseph 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 SC The full citation details ... 2006 DBLP  DOI  BibTeX  RDF
40Zhongwu Zhou, Feng Wang, Billy D. Todd Development of Chemistry Portal for Grid-enabled Molecular Science. Search on Bibsonomy e-Science The full citation details ... 2005 DBLP  DOI  BibTeX  RDF
38Rui 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 IWOMP The full citation details ... 2009 DBLP  DOI  BibTeX  RDF Cluster OpenMP, quantum chemistry code, performance
38Marian Bobrik, Vladimir Kvasnicka, Jiri Pospichal Artificial Chemistry and Molecular Darwinian Evolution of DNA/RNA-Like Systems II - Programmable folding. Search on Bibsonomy Computational Intelligence in Medical Informatics The full citation details ... 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
38Marian Bobrik, Vladimir Kvasnicka, Jiri Pospichal Artificial Chemistry and Molecular Darwinian Evolution of DNA/RNA-Like Systems I - Typogenetics and Chemostat. Search on Bibsonomy Computational Intelligence in Medical Informatics The full citation details ... 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
38Sam Bryfczynski OrganicPad: a tablet PC based chemistry tool. Search on Bibsonomy ACM Southeast Regional Conference The full citation details ... 2008 DBLP  DOI  BibTeX  RDF lewis structures, organic chemistry, tablet PC, graph isomorphism
38Pete P. Janes, Alistair P. Rendell Including Rigorous Numerical Bounds in Quantum Chemistry Calculations: Gaussian Integral Evaluation. Search on Bibsonomy CSE The full citation details ... 2008 DBLP  DOI  BibTeX  RDF Error analysis, Interval arithmetic, Chemistry
38Chris 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 IPAW The full citation details ... 2008 DBLP  DOI  BibTeX  RDF Atmospheric Chemistry, Provenance, Semantic Metadata, Model Development
38Lee McIntyre Emergence and reduction in chemistry: ontological or epistemological concepts? Search on Bibsonomy Synth. The full citation details ... 2007 DBLP  DOI  BibTeX  RDF Philosophy of Chemistry, Ontology, Reduction, Emergence, Epistemology
38Yu-Chien Chen A study of comparing the use of augmented reality and physical models in chemistry education. Search on Bibsonomy VRCIA The full citation details ... 2006 DBLP  DOI  BibTeX  RDF chemistry learning, augmented reality, physical model
38Norasiken Bakar, Halimah Badioze Zaman Development and Design of 3D Virtual Laboratory for Chemistry Subject Based on Constructivism-Cognitivism-Contextual Approach. Search on Bibsonomy 3D-GIS The full citation details ... 2006 DBLP  DOI  BibTeX  RDF Education Theory, Experiment, 3D, Virtual Laboratory, Chemistry, Learning by Doing
37Eric 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 J. Chem. Inf. Model. The full citation details ... 2012 DBLP  DOI  BibTeX  RDF
36Teena 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 SpringSim The full citation details ... 2009 DBLP  DOI  BibTeX  RDF NWChem, QM/MM modeling, TAU, interoperability, common component architecture
33Maria Laura Mantovani, M. Malagoli Highly parallel SCF calculation: the SYSMO Program. Search on Bibsonomy PDP The full citation details ... 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
33Herbert Edelsbrunner, Michael A. Facello, Ping Fu, Jie Liang Measuring proteins and voids in proteins. Search on Bibsonomy HICSS (5) The full citation details ... 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
33A. V. Dzyabchenko, Valery N. Agafonov Computer-aided design of crystalline drugs. Search on Bibsonomy HICSS (5) The full citation details ... 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
33Valentina Di Francesco, Peter J. Munson, Jean Garnier Use of multiple alignments in protein secondary structure prediction. Search on Bibsonomy HICSS (5) The full citation details ... 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
33Gordon M. Crippen Intervals and the deduction of drug binding site models. Search on Bibsonomy HICSS (5) The full citation details ... 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
33Michael Teschner, Christian Henn Mapping volumetric properties on molecular surfaces in real-time. Search on Bibsonomy HICSS (5) The full citation details ... 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
31Costin Pribeanu, Dragos Daniel Iordache Evaluating the Motivational Value of an Augmented Reality System for Learning Chemistry. Search on Bibsonomy USAB The full citation details ... 2008 DBLP  DOI  BibTeX  RDF formative usability evaluation, augmented reality, user experience, user testing, educational software
31Dimitra 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 EC-TEL The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
31Anthony Scemama, Antonio Monari, Celestino Angeli, Stefano Borini, Stefano Evangelisti, Elda Rossi Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library. Search on Bibsonomy ICCSA (1) The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
31Alan Dorin, Kevin B. Korb Building Virtual Ecosystems from Artificial Chemistry. Search on Bibsonomy ECAL The full citation details ... 2007 DBLP  DOI  BibTeX  RDF
31Jun Cao, Ayush Goyal, Samuel P. Midkiff, James M. Caruthers An Optimizing Compiler for Parallel Chemistry Simulations. Search on Bibsonomy IPDPS The full citation details ... 2007 DBLP  DOI  BibTeX  RDF
31Morten 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 CHI The full citation details ... 2007 DBLP  DOI  BibTeX  RDF octet rule, evaluation, education, augmented reality, tangible user interface, comparison
31Peter T. Corbett, Peter Murray-Rust High-Throughput Identification of Chemistry in Life Science Texts. Search on Bibsonomy CompLife The full citation details ... 2006 DBLP  DOI  BibTeX  RDF
31Manojkumar Krishnan, Yuri Alexeev, Theresa L. Windus, Jarek Nieplocha Multilevel Parallelism in Computational Chemistry using Common Component Architecture and Global Arrays. Search on Bibsonomy SC The full citation details ... 2005 DBLP  DOI  BibTeX  RDF
31Ron 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 Intelligent Tutoring Systems The full citation details ... 2004 DBLP  DOI  BibTeX  RDF
31Takeshi 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 International Conference on Computational Science The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
31Brian F. Yates, Brian J. Duke Computational Quantum Chemistry Experiments via the Web. Search on Bibsonomy International Conference on Computational Science The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
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