Search results for "Chemistry"

Hits ?▲	Authors	Title	Venue	Year	Link
12	Fabian M. Faulstich, Andre Laestadius, Örs Legeza, Reinhold Schneider, Simen Kvaal	Analysis of the Tailored Coupled-Cluster Method in Quantum Chemistry.	SIAM J. Numer. Anal.	2019	DBLP DOI BibTeX RDF
12	Vladimir Konkov, Roberto Peverati	QMC-SW: A simple workflow for quantum Monte Carlo calculations in chemistry.	SoftwareX	2019	DBLP DOI BibTeX RDF
12	Yao-Xiao Zhao, Meng-Yang Li, Yiming Xiong, Shirin Rahmani, Kun Yuan, Rui-Sheng Zhao, Masahiro Ehara, Shigeru Nagase, Xiang Zhao 0001	Pivotal Role of Nonmetal Atoms in the Stabilities, Geometries, Electronic Structures, and Isoelectronic Chemistry of Sc3X@C80 (X = C, N, and O).	J. Comput. Chem.	2019	DBLP DOI BibTeX RDF
12	Katerina Kyriakidou, Padeleimon Karafiloglou, Eric D. Glendening, Frank Weinhold	To Be or Not to Be: Demystifying the 2nd-Quantized Picture of Complex Electronic Configuration Patterns in Chemistry with Natural Poly-Electron Population Analysis.	J. Comput. Chem.	2019	DBLP DOI BibTeX RDF
12	Ramon Carbó-Dorca	"Solved and unsolved problems of structural chemistry" by Milan Randić, Marjana Novič, and Dejan Plavšić CRC Press, Boca Raton, 2016, XX+472 pp. ISBN 13-978-1-4987-1151-7.	J. Comput. Chem.	2019	DBLP DOI BibTeX RDF
12	Walid Lamine, Salima Boughdiri, Lorraine Christ, Christophe Morell, Henry Chermette	Coordination chemistry of Zn2+ with Sal(ph)en ligands: Tetrahedral coordination or penta-coordination? a DFT analysis.	J. Comput. Chem.	2019	DBLP DOI BibTeX RDF
12	Pierpaolo Morgante, Roberto Peverati	ACCDB: A collection of chemistry databases for broad computational purposes.	J. Comput. Chem.	2019	DBLP DOI BibTeX RDF
12	Roberto Cammi	The Role of Computational Chemistry in the Experimental Determination of the Dipole Moment of Molecules in Solution.	J. Comput. Chem.	2019	DBLP DOI BibTeX RDF
12	Gabriele Cruciani, Yvonne C. Martin, Andy Vinter, Richard Lewis, Federico Gago, Terry R. Stouch	How computational chemistry develops: a tribute to Peter Goodford.	J. Comput. Aided Mol. Des.	2019	DBLP DOI BibTeX RDF
12	Sveva Pelliccia, Ilenia Antonella Alfano, Ubaldina Galli, Ettore Novellino, Mariateresa Giustiniano, Gian Cesare Tron	α-Amino Acids as Synthons in the Ugi-5-Centers-4-Components Reaction: Chemistry and Applications.	Symmetry	2019	DBLP DOI BibTeX RDF
12	Georgia B. McGaughey, Rebecca Swett, Sara Swift, Ewa I. Chudyk, Kathryn Wong	A Brief Recent History of Women in Computational Chemistry at Vertex Pharmaceuticals.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
12	Gian Marco Ghiandoni, Michael J. Bodkin, Beining Chen, Dimitar Hristozov, James E. A. Wallace, James Webster, Valerie J. Gillet	Development and Application of a Data-Driven Reaction Classification Model: Comparison of an Electronic Lab Notebook and Medicinal Chemistry Literature.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
12	Roger D. Amos, Rika Kobayashi	Feature Engineering for Materials Chemistry - Does Size Matter?	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
12	Laurent Hoffer, Magali Saez-Ayala, Dragos Horvath, Alexandre Varnek, Xavier Morelli, Philippe Roche	CovaDOTS: In Silico Chemistry-Driven Tool to Design Covalent Inhibitors Using a Linking Strategy.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
12	Vasundhara Gadiyaram, Smitha Vishveshwara, Saraswathi Vishveshwara	From Quantum Chemistry to Networks in Biology: A Graph Spectral Approach to Protein Structure Analyses.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
12	Birgit Strodel, Orkid Coskuner-Weber	Transition Metal Ion Interactions with Disordered Amyloid-β Peptides in the Pathogenesis of Alzheimer's Disease: Insights from Computational Chemistry Studies.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
12	Adam C. Mater, Michelle L. Coote	Deep Learning in Chemistry.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
12	Nenad B. Krdzavac, Sebastian Mosbach, Daniel Nurkowski, Philipp Buerger, Jethro Akroyd, Jacob Martin, Angiras Menon, Markus Kraft	An Ontology and Semantic Web Service for Quantum Chemistry Calculations.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
12	Giulia Palermo, Kira A. Armacost, Maria C. Nagan	Women Make COMP: Mentoring the Next Generation of Women in Computational Chemistry.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
12	Habibah A. Wahab, Rommie E. Amaro, Zoe Cournia	A Celebration of Women in Computational Chemistry.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
12	Jason D. Boettger, James D. Kubicki	Evaluating Computational Chemistry Methods for Isotopic Fractionation between CO2(g) and H2O(g).	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
12	Felipe Zapata 0003, Lars Ridder, Johan Hidding, Christoph R. Jacob, Ivan Infante, Lucas Visscher	QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
12	Christoph Alexander Bauer	How to Model Inter- and Intramolecular Hydrogen Bond Strengths with Quantum Chemistry.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
12	Gholamreza Karamali, Mehdi Dehghan 0002, Mostafa Abbaszadeh	Numerical solution of a time-fractional PDE in the electroanalytical chemistry by a local meshless method.	Eng. Comput.	2019	DBLP DOI BibTeX RDF
12	Haozhang Deng, Xuemeng Wang, Zhiyi Guo, Ashley Decker, Xiaojing Duan, Chaoli Wang 0001, G. Alex Ambrose, Kevin Abbott	PerformanceVis: Visual analytics of student performance data from an introductory chemistry course.	Vis. Informatics	2019	DBLP DOI BibTeX RDF
12	Jinsong Zhang, Xue Yang, Xuan Hu, Taoying Li	Author Cooperation Network in Biology and Chemistry Literature during 2014-2018: Construction and Structural Characteristics.	Inf.	2019	DBLP DOI BibTeX RDF
12	Ryan M. Richard, Colleen Bertoni, Jeffery S. Boschen, Kristopher Keipert, Benjamin P. Pritchard, Edward F. Valeev, Robert J. Harrison, Wibe A. de Jong, Theresa L. Windus	Developing a Computational Chemistry Framework for the Exascale Era.	Comput. Sci. Eng.	2019	DBLP DOI BibTeX RDF
12	M. Dwi Wiwik Ernawati, Damris Muhammad, Asrial Asrial, Muhaimin	Development of Creative Thinking Skill Instruments for Chemistry Student Teachers in Indonesia.	Int. J. Online Biomed. Eng.	2019	DBLP DOI BibTeX RDF
12	Jenifer Santos, Luisa Parody, Manuel Ceballos, María C. Alfaro, Luis A. Trujillo-Cayado	Effectiveness of mobile devices as audience response systems in the chemistry laboratory classroom.	Comput. Appl. Eng. Educ.	2019	DBLP DOI BibTeX RDF
12	Silvia Amabilino, Lars A. Bratholm, Simon J. Bennie, Alain C. Vaucher, Markus Reiher, David R. Glowacki	Training neural nets to learn reactive potential energy surfaces using interactive quantum chemistry in virtual reality.	CoRR	2019	DBLP BibTeX RDF
12	Sumeet Batra, John Klingner, Nikolaus Correll	Augmented Reality for Human-Swarm Interaction in a Swarm-Robotic Chemistry Simulation.	CoRR	2019	DBLP BibTeX RDF
12	James Stovold	RDCSim: a GPU-Accelerated, Interactive Simulator for Reaction-Diffusion Chemistry.	CoRR	2019	DBLP BibTeX RDF
12	Angel Beltre, Shehtab Zaman, Kenneth Chiu, Sudhakar Pamidighantam, Xingye Qiao, Madhusudhan Govindaraju	Towards Run Time Estimation of the Gaussian Chemistry Code for SEAGrid Science Gateway.	CoRR	2019	DBLP BibTeX RDF
12	Joyce Xin-Yan Lim, Dasheng Leow, Quang-Cuong Pham, Choon-Hong Tan	Development of a robotic system for automatic organic chemistry synthesis.	CoRR	2019	DBLP BibTeX RDF
12	Michael B. O'Connor, Simon J. Bennie, Helen M. Deeks, Alexander Jamieson-Binnie, Alex J. Jones, Robin J. Shannon, Rebecca Walters, Thomas J. Mitchell, Adrian J. Mulholland, David R. Glowacki	An open-source multi-person virtual reality framework for interactive molecular dynamics: from quantum chemistry to drug binding.	CoRR	2019	DBLP BibTeX RDF
12	Suraj Kumar, Lionel Eyraud-Dubois, Sriram Krishnamoorthy	Performance Models for Data Transfers: A Case Study with Molecular Chemistry Kernels.	CoRR	2019	DBLP BibTeX RDF
12	José F. Rodrigues Jr., Larisa Florea, Maria Cristina Ferreira de Oliveira, Dermot Diamond, Osvaldo N. Oliveira Jr.	A survey on Big Data and Machine Learning for Chemistry.	CoRR	2019	DBLP BibTeX RDF
12	Guang Hao Low, Nicholas P. Bauman, Christopher E. Granade, Bo Peng, Nathan Wiebe, Eric J. Bylaska, Dave Wecker, Sriram Krishnamoorthy, Martin Roetteler, Karol Kowalski, Matthias Troyer, Nathan A. Baker	Q# and NWChem: Tools for Scalable Quantum Chemistry on Quantum Computers.	CoRR	2019	DBLP BibTeX RDF
12	Mario Krenn, Florian Häse, AkshatKumar Nigam, Pascal Friederich, Alán Aspuru-Guzik	SELFIES: a robust representation of semantically constrained graphs with an example application in chemistry.	CoRR	2019	DBLP BibTeX RDF
12	Jerimiah Wright	Computational Chemistry on Quantum Computers.	CoRR	2019	DBLP BibTeX RDF
12	Guangyong Chen, Pengfei Chen 0003, Chang-Yu Hsieh, Chee-Kong Lee, Benben Liao, Renjie Liao, Weiwen Liu, Jiezhong Qiu, Qiming Sun, Jie Tang 0001, Richard S. Zemel, Shengyu Zhang 0002	Alchemy: A Quantum Chemistry Dataset for Benchmarking AI Models.	CoRR	2019	DBLP BibTeX RDF
12	Pei-Shan Chi, Juan Gorraiz, Wolfgang Glänzel	Comparing capture, usage and citation indicators: an altmetric analysis of journal papers in chemistry disciplines.	Scientometrics	2019	DBLP DOI BibTeX RDF
12	Paloma Yáñez-Sedeño, Araceli González-Cortés, Susana Campuzano, José M. Pingarrón	Copper(I)-Catalyzed Click Chemistry as a Tool for the Functionalization of Nanomaterials and the Preparation of Electrochemical (Bio)Sensors.	Sensors	2019	DBLP DOI BibTeX RDF
12	Juan Vicente Capella, Alberto Bonastre, Rafael Ors, Miguel Peris	A New Application of Internet of Things and Cloud Services in Analytical Chemistry: Determination of Bicarbonate in Water.	Sensors	2019	DBLP DOI BibTeX RDF
12	Joshua Wood, Dermot Francis Donnelly-Hermosillo	Learning chemistry nomenclature: Comparing the use of an electronic game versus a study guide approach.	Comput. Educ.	2019	DBLP DOI BibTeX RDF
12	Sebastian Fritsch, Stefan Neumann 0001, Jonas Schaub, Christoph Steinbeck, Achim Zielesny	ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK).	J. Cheminformatics	2019	DBLP DOI BibTeX RDF
12	Kevin J. Theisen	Programming languages in chemistry: a review of HTML5/JavaScript.	J. Cheminformatics	2019	DBLP DOI BibTeX RDF
12		Section C: Biology and Medicine Section D: Chemistry and Physics.	J. Comput. Methods Sci. Eng.	2019	DBLP BibTeX RDF
12	Bertrand Bessagnet, Florian Couvidat, Vincent Lemaire 0003	A statistical physics approach to perform fast highly-resolved air quality simulations - A new step towards the meta-modelling of chemistry transport models.	Environ. Model. Softw.	2019	DBLP DOI BibTeX RDF
12	Bosede Iyiade Edwards, Kevin Stanley Bielawski, Rui Prada, Adrian David Cheok	Haptic virtual reality and immersive learning for enhanced organic chemistry instruction.	Virtual Real.	2019	DBLP DOI BibTeX RDF
12	Martina A. Rau, Miranda Zahn, Edward Misback, Judith Burstyn	Adaptive Support for Representation Skills in a Chemistry ITS Is More Effective Than Static Support.	AIED (1)	2019	DBLP DOI BibTeX RDF
12	Pavlo P. Nechypurenko, Viktoriia G. Stoliarenko, Tetiana V. Starova, Tetiana V. Selivanova, Oksana M. Markova, Yevhenii O. Modlo, Ekaterina O. Shmeltser	Development and implementation of educational resources in chemistry with elements of augmented reality.	AREdu	2019	DBLP BibTeX RDF
12	Isaac Watson, Angelika Sebald, Susan Stepney	A Meta-Atom Based Sub-Symbolic Artificial Chemistry.	ALIFE	2019	DBLP DOI BibTeX RDF
12	Mahalakshmi Suresh Kumar, Shreya Gupta, Subashini Baskaran, Jin-Cheon Na	User Motivation Classification and Comparison of Tweets Mentioning Research Articles in the Fields of Medicine, Chemistry and Environmental Science.	ICADL	2019	DBLP DOI BibTeX RDF
12	Jules Leguy, Thomas Cauchy, Béatrice Duval, Benoit Da Mota	Predicting Interatomic Distances of Molecular Quantum Chemistry Calculations.	EGC (best of volume)	2019	DBLP DOI BibTeX RDF
12	Chien-Le Goh, Hong Tat Ewe, Yong Kheng Goh	An Artificial Cell Simulator based on Artificial Chemistry.	ICSCA	2019	DBLP DOI BibTeX RDF
12	Karina L. Damo, Maricar Sison Prudente	Investigating students' attitude and achievement in organic chemistry using interactive application.	IC4E	2019	DBLP DOI BibTeX RDF
12	Salmawati, Sjaeful Anwar, Ghery Priscylio	The use of chemistry e-book developed by 4S TMD: upper high school teachers and students' views.	IC4E	2019	DBLP DOI BibTeX RDF
12	Khalil J. Anderson, Theodore Dubiel, Kenji Tanaka, Marcelo Worsley, Cody Poultney, Steve Brenneman	Chemistry Pods: A Mutlimodal Real Time and Retrospective Tool for the Classroom.	ICMI	2019	DBLP DOI BibTeX RDF
12	Hiroyuki Nozaka, H. Sazawa, E. Ozaki, Manabu Nakano, H. Takami	Detection Algorithm for Inadequate Blood Specimens Due to Contamination with an Infusion Solution in the Clinical Chemistry Tests: Prevention of Incidents by Blood Draw Error.	MedInfo	2019	DBLP DOI BibTeX RDF
12	Angel Beltre, Shehtab Zaman, Kenneth Chiu, Sudhakar Pamidighantam, Xingye Qiao, Madhusudhan Govindaraju	Towards Run Time Estimation of the Gaussian Chemistry Code for SEAGrid Science Gateway.	PEARC	2019	DBLP DOI BibTeX RDF
12	Swapan Deoghuria, Gayatri Paul	The Prospect of Chemistry Research in India.	ISSI	2019	DBLP BibTeX RDF
12	Andreas Rehs	Disciplines at the crossroads: scientific re-orientation of economics and chemistry after the German reunification.	ISSI	2019	DBLP BibTeX RDF
12	Marion Maisonobe, Bastien Bernela	Exploring the borders of a transregional knowledge network. The case of a French research federation in green chemistry.	ISSI	2019	DBLP BibTeX RDF
12	Erdal Mutlu, Karol Kowalski, Sriram Krishnamoorthy	Toward generalized tensor algebra for ab initio quantum chemistry methods.	ARRAY@PLDI	2019	DBLP DOI BibTeX RDF
12	Roger D. Chamberlain, Mike Chambers, Darren Greenwalt, Maria Scharth, Brett Steinbrueck, Todd Steinbrueck, David Thomas	Water in the Cloud: Understanding Water Chemistry via the Internet of Things.	DCOSS	2019	DBLP DOI BibTeX RDF
12	Pavlo Nechypurenko, Tetiana Selivanova, Maryna Chernova	Using the Cloud-Oriented Virtual Chemical Laboratory VLab in Teaching the Solution of Experimental Problems in Chemistry of 9th Grade Students.	ICTERI Workshops	2019	DBLP BibTeX RDF
12	Yekta Ülgen	A Practical Approach to ISO 15189 and Measurement Uncertainty in Clinical Chemistry: Analytic Bias is Still an Important Challenge.	MeMeA	2019	DBLP DOI BibTeX RDF
12	Mareike Frevert, David-S. Di Fuccia	Virtual Reality as a Means of Teaching Contemporary Chemistry.	ICDTE	2019	DBLP DOI BibTeX RDF
12	Oto A. L. Cunha, Joimar B. Gonçalves, Victor Travassos Sarinho	Quimi-Crush: A Digital Game for the Teaching of Inorganic Chemistry.	ICEC-JCSG	2019	DBLP DOI BibTeX RDF
12	Andreì L. Tchougréeff	cartesius fort - object fortran Library for Chemistry and Materials Science.	ICCSA (4)	2019	DBLP DOI BibTeX RDF
12	Valter H. Carvalho-Silva, Eduardo C. Vaz, Nayara D. Coutinho, Hikaru Kobayashi, Yuki Kobayashi, Toshio Kasai, Federico Palazzetti, Andrea Lombardi, Vincenzo Aquilanti	The Increase of the Reactivity of Molecular Hydrogen with Hydroxyl Radical from the Gas Phase versus an Aqueous Environment: Quantum Chemistry and Transition State-Theory Calculations.	ICCSA (6)	2019	DBLP DOI BibTeX RDF
12	Chanyapat Sangsuwon, Netdao Yooyong	Measuring Undergraduate Science Students Satisfaction for the services provided by Chemistry Laboratories in SSRU University.	ICETC	2019	DBLP DOI BibTeX RDF
12	Suraj Kumar, Lionel Eyraud-Dubois, Sriram Krishnamoorthy	Performance Models for Data Transfers: A Case Study with Molecular Chemistry Kernels.	ICPP	2019	DBLP DOI BibTeX RDF
12	Xiaojing Cai, Xiaozan Lyu, Ping Zhou 0001	A comparative study of domestic and cross-country impact of Chinese and U.S. publications in chemistry.	ASIST	2019	DBLP DOI BibTeX RDF
12	Guillaume Bigeard, Bojan Sic, Laaziz El Amraoui, Matthieu Plu	Monitoring Volcanic ASH with the Chemistry-Transport Model Mocage: Improvements of Source Term and Assimilation of Observations.	IGARSS	2019	DBLP DOI BibTeX RDF
12	Timo Holopainen, Jukka Rantala	Value Creation in Three Clusters Focusing on Chemistry.	AHFE (10)	2019	DBLP DOI BibTeX RDF
12	Bharati Choudhari, Jitendra Satam, Pushpendra Rai, Druman Utekar	Active Learning and CO Attainment through Collaborative Learning in Engineering Chemistry.	T4E	2019	DBLP DOI BibTeX RDF
12	Jitendra Satam, Pushpendra Rai, Bharati Choudhari, Druman Utekar	Blended Learning Approach using Virtual Laboratory Applications in Engineering Chemistry.	T4E	2019	DBLP DOI BibTeX RDF
12	Karina A. Gulyaeva, Irina L. Artemieva	The Ontological Approach in Organic Chemistry Intelligent System Development.	ICICT (2)	2019	DBLP DOI BibTeX RDF
12	Liang-Chi Shen, Ting-Ting Wu, Wen-Chun Hsu	The Application of Augmented Reality to the Education of Chemistry - Take the Course of Nature Science in Junior High School as an Example.	ICITL	2019	DBLP DOI BibTeX RDF
12	Jason Ott	Programming Safe Chemistry on Laboratories-on-a-Chip.		2019	RDF
12	Mojtaba Haghighatlari	Making Machine Learning Work in Chemistry: Methodological Innovation, Software Development, and Application Studies.		2019	RDF
12	Matthias Hettel, Eric Daymo, Olaf Deutschmann	3D modeling of a CPOX-reformer including detailed chemistry and radiation effects with DUO.	Comput. Chem. Eng.	2018	DBLP DOI BibTeX RDF
12	Sudip Adhikari, Alan Sayre, Abhilash J. Chandy	In situ adaptive tabulation (ISAT) for combustion chemistry in a network of perfectly stirred reactors (PSRs) for the investigation of soot formation and growth.	Comput. Chem. Eng.	2018	DBLP DOI BibTeX RDF
12	Jason Ott, Tyson Loveless, Christopher Curtis, Mohsen Lesani, Philip Brisk	BioScript: programming safe chemistry on laboratories-on-a-chip.	Proc. ACM Program. Lang.	2018	DBLP DOI BibTeX RDF
12	Sam Van Horne, Maura Curran, Anna Marie Smith, John VanBuren, David Zahrieh, Russell Larsen, Ross Miller	Facilitating Student Success in Introductory Chemistry with Feedback in an Online Platform.	Technol. Knowl. Learn.	2018	DBLP DOI BibTeX RDF
12	Andre Laestadius, Simen Kvaal	Analysis of the Extended Coupled-Cluster Method in Quantum Chemistry.	SIAM J. Numer. Anal.	2018	DBLP DOI BibTeX RDF
12	Nicolas Bock, Christian F. A. Negre, Susan M. Mniszewski, Jamaludin Mohd-Yusof, Bálint Aradi, Jean-Luc Fattebert, Daniel Osei-Kuffuor, Timothy C. Germann, Anders M. N. Niklasson	The basic matrix library (BML) for quantum chemistry.	J. Supercomput.	2018	DBLP DOI BibTeX RDF
12	Rodica Ioana Lung	Adaptive artificial chemistry for Nash equilibria approximation.	Int. J. Comput. Intell. Stud.	2018	DBLP DOI BibTeX RDF
12	Masao Hayami, Junji Seino, Yuya Nakajima, Masahiko Nakano, Yasuhiro Ikabata, Takeshi Yoshikawa, Takuro Oyama, Kenta Hiraga, So Hirata, Hiromi Nakai	RAQET: Large-scale two-component relativistic quantum chemistry program package.	J. Comput. Chem.	2018	DBLP DOI BibTeX RDF
12	Jan P. Unsleber, Thomas Dresselhaus, Kevin Klahr, David Schnieders, Michael Böckers, Dennis Barton, Johannes Neugebauer	Serenity: A subsystem quantum chemistry program.	J. Comput. Chem.	2018	DBLP DOI BibTeX RDF
12	Philipp Pracht, Rainer Wilcken, Anikó Udvarhelyi, Stephane Rodde, Stefan Grimme	High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge.	J. Comput. Aided Mol. Des.	2018	DBLP DOI BibTeX RDF
12	Dimitris K. Agrafiotis, M. Katharine Holloway, Scott A. Johnson, Charles H. Reynolds, Terry R. Stouch, Alexander Tropsha, Chris L. Waller	Chemistry, information and Frank: a tribute to Frank Brown.	J. Comput. Aided Mol. Des.	2018	DBLP DOI BibTeX RDF
12	Rizwan H. Khan, Muhammad Ali Inam, Du Ri Park, Saba Zam Zam, Ick Tae Yeom	Taguchi Orthogonal Array Dataset for the Effect of Water Chemistry on Aggregation of ZnO Nanoparticles.	Data	2018	DBLP DOI BibTeX RDF
12	M. Katharine Holloway, Georgia B. McGaughey	Computational Chemistry: A Rising Tide of Women.	J. Chem. Inf. Model.	2018	DBLP DOI BibTeX RDF
12	Yen S. Low, Vinicius M. Alves, Denis Fourches, Alexander Sedykh, Carolina Horta Andrade, Eugene N. Muratov, Ivan Rusyn, Alexander Tropsha	Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships.	J. Chem. Inf. Model.	2018	DBLP DOI BibTeX RDF
12	Jaime Rodríguez-Guerra Pedregal, Pablo Gómez-Orellana, Jean-Didier Maréchal	ESIgen: Electronic Supporting Information Generator for Computational Chemistry Publications.	J. Chem. Inf. Model.	2018	DBLP DOI BibTeX RDF
12	Habibah A. Wahab, Rommie E. Amaro, Zoe Cournia	Women in Computational Chemistry.	J. Chem. Inf. Model.	2018	DBLP DOI BibTeX RDF
12	Malte Döntgen, Felix Schmalz, Wassja A. Kopp, Leif C. Kröger, Kai Leonhard	Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations.	J. Chem. Inf. Model.	2018	DBLP DOI BibTeX RDF