Search results for "chemistry"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
113	Sam Bryfczynski	OrganicPad: a tablet PC based chemistry tool.	ACM Southeast Regional Conference	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.	International Conference on Computational Science (3)	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?	Synth.	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.	JCDL	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.	International Conference on Computational Science	2003	DBLP DOI BibTeX RDF
60	Roald Hoffmann	What might philosophy of science look like if chemists built it?	Synth.	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.	HICSS (5)	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.	HICSS (5)	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.	IEEE Trans. Vis. Comput. Graph.	2009	DBLP DOI BibTeX RDF
56	Morten Fjeld, Benedikt M. Voegtli	Augmented Chemistry: An Interactive Educational Workbench.	ISMAR	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.	TEI	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.	Discrete Mathematical Chemistry	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.	HPCS	2008	DBLP DOI BibTeX RDF
49	Luca Cardelli	From Processes to ODEs by Chemistry.	IFIP TCS	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.	ICCSA (1)	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.	International Conference on Computational Science	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.	IVIC	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.	SUTC	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.	SpringSim	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.	EvoWorkshops	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.	BIOWIRE	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.	J. Grid Comput.	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.	ECAL	2005	DBLP DOI BibTeX RDF	Elementary Reactions, Energy Conservation, Artificial Chemistry
46	Noriyuki Amari, Kazuto Tominaga	Simulation Minus One Makes a Game.	EvoWorkshops	2009	DBLP DOI BibTeX RDF
46	Peter Ingwersen, Daisy Jacobs	South African research in selected scientific areas: Status 1981-2000.	Scientometrics	2004	DBLP DOI BibTeX RDF
46	Erica Harvey, Chaim Gingold	Haptic Representation of the Atom.	IV	2000	DBLP DOI BibTeX RDF
45	Denise M. Koch, Ann M. English, Gilles H. Peslherbe	Computational Investigation of Protein Chemistry: "S-Nitrosohemoglobin".	HPCS	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.	FUZZ-IEEE	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.	J. Sci. Comput.	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.	HPDC	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	Discrete Mathematical Chemistry	2000	DBLP DOI BibTeX RDF
40		Participants.	Discrete Mathematical Chemistry	1998	DBLP BibTeX RDF
40	Fuji Zhang, Huaien Li	On maximal energy ordering of acyclic conjugated molecules.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Bo Tao Fan, Annick Panaye, Jianhua Yao 0002, Shengang Yuan, Jean-Pierre Doucet	Geometric symmetry and chemical equivalence.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Helgo M. Ohlenbusch, Nicolas Rivier, Tomaso Aste, Benoit Dubertret	Random networks in two dimensions. Simulations and correlations.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Humberto Terrones Maldonado, Mauricio Terrones Maldonado	Geometry and energetics of high genus fullerenes and nanotubes.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Olaf Delgado-Friedrichs, Marián Deza	More icosahedral fulleroids.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Ray Hefferlin	Numerical solutions of the Laplace equation in chemical spaces.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Andrew V. Zeigarnik	On hypercycles and hypercircuits in hypergraphs.	Discrete Mathematical Chemistry	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.	Discrete Mathematical Chemistry	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.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40		Foreword.	Discrete Mathematical Chemistry	1998	DBLP BibTeX RDF
40		Preface.	Discrete Mathematical Chemistry	1998	DBLP BibTeX RDF
40	Hernán G. Abeledo, Gary W. Atkinson	The Clar and Fries problems for benzenoid hydrocarbons are linear programs.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Olaf Delgado-Friedrichs	Fast embeddings for planar molecular graphs.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Peter Rowlinson	Star sets and star complements in finite graphs: A spectral construction technique.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Joseph Malkevitch	Geometrical and combinatorial questions about fullerenes.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Sandi Klavzar	Applications of isometric embeddings to chemical graphs.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Philippe Vismara, Claude Laurenço	An abstract representation for molecular graphs.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Robert Bruce King	Carbon networks on cubic infinite periodic minimal surfaces.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Subhash C. Basak, Brian D. Gute	Use of graph invariants in QMSA and predictive toxicology.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40		Contributing Authors.	Discrete Mathematical Chemistry	1998	DBLP BibTeX RDF
40	Stephen T. Hyde, Stuart Ramsden	Chemical frameworks and hyperbolic tilings.	Discrete Mathematical Chemistry	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.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Gilles Caporossi, Pierre Hansen, Maolin Zheng	Enumeration of fusenes to h = 20.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Gunnar Brinkmann	Isomorphism rejection in structure generation programs.	Discrete Mathematical Chemistry	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.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Xiaofeng Guo, Milan Randic	An efficient algorithm for determining fixed bonds and normal components in a bipartite graph.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Jörg M. Wills	The Wulff-shape of large periodic sphere packings.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Paul G. Mezey	Topological methods of molecular shape analysis: Continuum models and discretization.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Milan Randic, Xiaofeng Guo, Sol Bobst	Use of path matrices for a characterization of molecular structures.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Patrick W. Fowler, Peter E. John, Horst Sachs	(3-6)-cages, hexagonal toroidal cages, and their spectra.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40	Andreas Dietz, Christophe Fiorio, Michel Habib, Claude Laurenço	Representation of stereochemistry using combinatorial maps.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
40		Dedication.	Discrete Mathematical Chemistry	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.	QoSA	2009	DBLP DOI BibTeX RDF
40	Florian Boudin, Juan-Manuel Torres-Moreno, Patricia Velázquez-Morales	An Efficient Statistical Approach for Automatic Organic Chemistry Summarization.	GoTAL	2008	DBLP DOI BibTeX RDF
40	Ponnadurai Ramasami	3rd Workshop on Computational Chemistry and Its Applications (3rd CCA).	ICCS (2)	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.	Scientometrics	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.	Scientometrics	2006	DBLP DOI BibTeX RDF
40	Mario Valle	Representations that promote cognition: the case of chemistry visualization tools.	APGV	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.	SC	2006	DBLP DOI BibTeX RDF
40	Zhongwu Zhou, Feng Wang, Billy D. Todd	Development of Chemistry Portal for Grid-enabled Molecular Science.	e-Science	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.	IWOMP	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.	Computational Intelligence in Medical Informatics	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.	Computational Intelligence in Medical Informatics	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.	ACM Southeast Regional Conference	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.	CSE	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.	IPAW	2008	DBLP DOI BibTeX RDF	Atmospheric Chemistry, Provenance, Semantic Metadata, Model Development
38	Lee McIntyre	Emergence and reduction in chemistry: ontological or epistemological concepts?	Synth.	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.	VRCIA	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.	3D-GIS	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.	J. Chem. Inf. Model.	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.	SpringSim	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.	PDP	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.	HICSS (5)	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.	HICSS (5)	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.	HICSS (5)	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.	HICSS (5)	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.	HICSS (5)	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.	USAB	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.	EC-TEL	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.	ICCSA (1)	2008	DBLP DOI BibTeX RDF
31	Alan Dorin, Kevin B. Korb	Building Virtual Ecosystems from Artificial Chemistry.	ECAL	2007	DBLP DOI BibTeX RDF
31	Jun Cao, Ayush Goyal, Samuel P. Midkiff, James M. Caruthers	An Optimizing Compiler for Parallel Chemistry Simulations.	IPDPS	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.	CHI	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.	CompLife	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.	SC	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.	Intelligent Tutoring Systems	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.	International Conference on Computational Science	2003	DBLP DOI BibTeX RDF
31	Brian F. Yates, Brian J. Duke	Computational Quantum Chemistry Experiments via the Web.	International Conference on Computational Science	2003	DBLP DOI BibTeX RDF