Journal of Computational Chemistry

Results: 126



#Item
31Theoretical chemistry / Mineral / Chemistry / Computational chemistry / Ab initio quantum chemistry methods

Goldschmidt 2000 September 3rd–8th, 2000 Oxford, UK. Journal of Conference Abstracts Volume 5(2), 138

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Source URL: www.the-conference.com

Language: English - Date: 2009-11-05 06:12:03
32Computational linguistics / Natural language processing / Data mining / Computational chemistry / Cybernetics / Named-entity recognition / Information extraction / Conditional random field / Chemistry / Science / Knowledge / Information science

Tang et al. Journal of Cheminformatics 2015, 7(Suppl 1):S8 http://www.jcheminf.com/content/7/S1/S8 RESEARCH Open Access

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Source URL: www.jcheminf.com

Language: English
33Phase transitions / Computational chemistry / Temperature / Condensed matter physics / Density functional theory / Melting point / Electronic band structure / Crystal / Molecular dynamics / Chemistry / Physics / Science

THE JOURNAL OF CHEMICAL PHYSICS 126, 194502 共2007兲 Ab initio melting curve of molybdenum by the phase coexistence method C. Cazorla and M. J. Gillan London Centre for Nanotechnology, UCL, London WC1H OAH, United Kin

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Source URL: www.claudiocazorla.com

Language: English - Date: 2010-02-11 05:02:36
34Computational chemistry / Classical mechanics / Spectroscopy / Force spectroscopy / Molecular dynamics / Fictitious force / Force / Constraint algorithm / Physics / Chemistry / Science

Journal of Biotechnology–23 Theoretical analysis of dynamic force spectroscopy experiments on ligand–receptor complexes M. Raible a , M. Evstigneev a , P. Reimann a,∗ , F.W. Bartels b , R. Ros b a

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Source URL: roslab.physics.asu.edu

Language: English - Date: 2010-01-04 11:29:45
35Bioinformatics / Data mining / Information science / BioCreative / Named-entity recognition / Chemical database / Biomedical text mining / Chemistry / Text mining / Science / Computational linguistics / Natural language processing

Krallinger et al. Journal of Cheminformatics 2015, 7(Suppl 1):S1 http://www.jcheminf.com/content/7/S1/S1 RESEARCH Open Access

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Source URL: www.jcheminf.com

Language: English
36Medicinal chemistry / Bioinformatics / Molecular modelling / Computational chemistry / Docking / Virtual screening / Cheminformatics / DOCK / Pharmacophore / Chemistry / Science / Drug discovery

Pippel et al. Journal of Cheminformatics 2012, 4(Suppl 1):F3 http://www.jcheminf.com/content/4/S1/F3 ORAL PRESENTATION Open Access

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Source URL: www.jcheminf.com

Language: English
37Building engineering / Solid / Catalysis / Computational Materials Science / Inorganic chemistry / Hybrid material / Ceramic materials / Tobin J. Marks / Journal of Materials Chemistry / Chemistry / Science / Materials science

European Chemistry Thematic Network Working Group on Catalysis and New Materials National Reports April, 1998

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Source URL: ectn-assoc.cpe.fr

Language: English - Date: 2010-09-24 05:51:43
38Journal of Computational Chemistry / Computational chemistry / Journal of Medicinal Chemistry / Citation / Chemistry / Publishing / Academic publishing

PDF Document

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Source URL: www.merzgroup.org

Language: English - Date: 2015-02-25 13:35:18
39Artificial life / Computational chemistry / Molecular dynamics / Molecular modelling / Nuclear magnetic resonance spectroscopy / Self-replication / Chemical kinetics / Molecular assembler / Chemistry / Nanotechnology / Science

Dieckmann et al. Journal of Systems Chemistry 2010, 1:10 http://www.jsystchem.com/contentPRELIMINARY COMMUNICATION Open Access

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Source URL: www.jsystchem.com

Language: English
40Drug discovery / Pharmaceutical sciences / Medicinal chemistry / Computational chemistry / OpenEye Scientific Software / Chemical Computing Group / Theoretical chemistry / Virtual screening / Pharmacophore / Science / Chemistry / Cheminformatics

Journal of Cheminformatics 2012, Volume 4 Suppl 1 http://www.jcheminf.com/supplements/4/S1 MEETING ABSTRACTS Open Access

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Source URL: www.jcheminf.com

Language: English
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