Computational chemistry

Results: 1931



#Item
931Cheminformatics / Graph theory / Mathematical chemistry / Mathematics / Chemist / Physical chemistry / Quantum mechanics / Quantum chemistry / Computational chemistry / Chemistry / Science / Theoretical chemistry

Mathematical Chemistry! Is It? And if so, What Is It?

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Source URL: hyle.org

Language: English - Date: 2013-07-04 19:23:43
932Environmental chemistry / Chemist / Contamination / Computational chemistry / Chemistry / Science / Nature

Microsoft Word - ISEQ SUM04-Paul.doc

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Source URL: ag.udel.edu

Language: English - Date: 2005-03-21 15:05:11
933Spintronics / Computational chemistry / Rotational symmetry / Theoretical chemistry / Hartree–Fock method / Crystal / Relaxation / Spin / Electron / Physics / Chemistry / Atomic physics

PHYSICAL REVIEW B 87, [removed]Evolution of the persistent spin helix in the presence of Hartree-Fock fields Matthias C. L¨uffe,1 Jeroen Danon,1,2 and Tamara S. Nunner1 1

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Source URL: users.physik.fu-berlin.de

Language: English - Date: 2013-03-14 11:44:02
934Drug discovery / Molecular modelling / Medicinal chemistry / Computational chemistry / Bioinformatics / Drug design / Docking / OpenEye Scientific Software / Virtual screening / Science / Chemistry / Pharmaceutical sciences

Community of Practice for Applications of Cheminformatics & Chemical Modeling to Drug Discovery in

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Source URL: barryhardy.blogs.com

Language: English - Date: 2008-06-05 21:14:38
935Drug discovery / Cheminformatics / Medicinal chemistry / Computational chemistry / Pharmacology / OpenEye Scientific Software / Chemical Computing Group / Virtual screening / Drug design / Science / Pharmaceutical sciences / Chemistry

Community of Practice for Applications of Cheminformatics & Chemical Modeling to Drug Discovery Interactive pragmatic workshops with leading experts and industry

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Source URL: barryhardy.blogs.com

Language: English - Date: 2008-10-23 16:00:54
936Climate forcing / Computational science / Global climate model / Global warming / Environmental chemistry / Climate model / Atmospheric convection / Cloud / Ozone / Atmospheric sciences / Meteorology / Atmospheric thermodynamics

Click Here JOURNAL OF GEOPHYSICAL RESEARCH, VOL. 111, D23304, doi:[removed]2006JD007325, 2006 for

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Source URL: www.ace.uwaterloo.ca

Language: English - Date: 2006-12-18 10:27:18
937Asymptotic analysis / Computational chemistry / Functional analysis / Perturbation theory / Zero moment point / Motion capture / Robotics / Kinematics / Dimensional analysis / Physics / Mathematical analysis / Quantum mechanics

Stepping Motion for a Human-like Character to Maintain Balance against Large Perturbations Shunsuke Kudoh Taku Komura

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Source URL: www.cvl.iis.u-tokyo.ac.jp

Language: English - Date: 2006-07-09 06:25:48
938Solid mechanics / Computational chemistry / Deformation / Materials science / Aerodynamics / Molecular dynamics / Computer simulation / Scientific modelling / Fluid dynamics / Mechanics / Physics / Science

40 CP1 Percolation of Conductivity for Carbon Nanotubes The problem of the percolation of conductivity that occurs from the suspension of carbon nanotubes in a nonconductive polymer matrix is of considerable interest fo

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Source URL: www.siam.org

Language: English - Date: 2008-04-08 09:50:54
939Inorganic solvents / Oxides / Neutron moderators / Properties of water / Dissolution / Hydrogen bond / Chemical bond / Adsorption / Water model / Chemistry / Computational chemistry / Water

THE JOURNAL OF CHEMICAL PHYSICS 130, 234702 共2009兲 Interfacial water: A first principles molecular dynamics study of a nanoscale water film on salt Li-Min Liu,1 Matthias Krack,2 and Angelos Michaelides1,a兲 1

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Source URL: www.chem.ucl.ac.uk

Language: English - Date: 2009-07-10 04:36:28
940Cheminformatics / Medicinal chemistry / Pharmacology / Toxicology / Computational chemistry / Quantitative structure–activity relationship / European Chemicals Bureau / Drug discovery / Chemical substance / Chemistry / Pharmaceutical sciences / Science

Microsoft Word - Chemical Categories and Read across_Dec.doc

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Source URL: publications.jrc.ec.europa.eu

Language: English - Date: 2012-04-17 05:41:05
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