Computational chemistry

Results: 1931



#Item
781Atmospheric thermodynamics / Inorganic solvents / Oxides / Superhydrophobe / Water vapor / Hydrophobe / Properties of water / Wetting / Supersaturation / Chemistry / Chemical properties / Intermolecular forces

Computational technique reveals how tiny pillars affect the condensation of vapor onto a surface

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Source URL: phys.org

Language: English - Date: 2015-04-16 11:16:22
782Science / Computational chemistry / Nature / Crystal / Solubility / Chemistry

Title: COSMOsim3D for drug-similarity, alignment, and COSMOsar3D for molecular field analysis Christoph Loschen, ACS, San Diego, CA, March 26, 2012, 1:35PM to 2:10PM Abstract Body: By the practical success of the COSMO-R

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Source URL: cacheresearch.com

Language: English - Date: 2012-01-20 20:19:25
783Global warming / Computational science / Environmental chemistry / Climate forcing / Global climate model / Hydroxyl radical / Scientific modelling / Statistics / Science / Information / Chemistry

Atmos. Chem. Phys., 7, 2527–2550, 2007 www.atmos-chem-phys.net[removed]/ © Author(s[removed]This work is licensed under a Creative Commons License. Atmospheric

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Source URL: www.atmos-chem-phys.net

Language: English - Date: 2013-01-17 15:42:45
784Fluid mechanics / Science / Chemical engineering / Laboratory techniques / Computational fluid dynamics / Deposition / Sedimentation / Upwind scheme / Viscosity / Chemistry / Aerosol science / Particulates

Atmos. Chem. Phys., 6, 4617–4632, 2006 www.atmos-chem-phys.net[removed]/ © Author(s[removed]This work is licensed under a Creative Commons License. Atmospheric

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Source URL: www.atmos-chem-phys.net

Language: English - Date: 2013-01-17 15:24:23
785Molecular modelling / Computational chemistry / Intermolecular forces / Molecular dynamics / Accessible surface area / Van der Waals radius / Implicit solvation / Van der Waals surface / Johannes Diderik van der Waals / Chemistry / Protein structure / Science

ProteinVolume: calculating molecular van der Waals and void volumes in proteins

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Source URL: www.biomedcentral.com

Language: English
786Computational chemistry / Medicinal chemistry / Quantitative structure–activity relationship / Science / Pharmacology / Chemistry / Cheminformatics

QSAR APPLICATION TOOLBOX ADVANCED TRAINING WORKSHOP BARCELONA, SPAIN[removed]November 2014

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Source URL: oasis-lmc.org

Language: English - Date: 2014-10-21 09:14:31
787Computational science / Environmental chemistry / Global warming / Climate forcing / Global climate model / Climate model / Atmospheric model / Numerical weather prediction / Intergovernmental Panel on Climate Change / Atmospheric sciences / Science / Climatology

March[removed]Special Topic: resolving model NICAM Program Activity Frontier News

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Source URL: www.jamstec.go.jp

Language: English - Date: 2011-04-12 04:13:26
788Chemistry / Science / Computational chemistry / Quantitative structure–activity relationship / Toxicology / Applicability Domain / Ecotoxicity / Pharmacology / Cheminformatics / Medicinal chemistry

QSAR APPLICATION TOOLBOX BASIC TRAINING WORKSHOP BARCELONA, SPAIN[removed]November 2014

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Source URL: oasis-lmc.org

Language: English - Date: 2014-10-21 09:14:31
789Quantum chemistry / Chemical bonding / Physical organic chemistry / Computational chemistry

A picture is worth a thousand test-tubes David A. Gallagher*, ACS, 24 March 2010 Abstract: A picture is worth a thousand test-tubes: Measuring the weight of a white powder that dissolves in a colorless

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Source URL: cacheresearch.com

Language: English - Date: 2010-03-25 10:11:50
790Theoretical chemistry / QM/MM / Hartree–Fock method / Ab initio quantum chemistry methods / Density functional theory / Quantum chemistry / ONIOM / Chemistry / Computational chemistry / Science

More quantum chemistry with BOINC Martin Korth Theory of Condensed Matter group, Cavendish Laboratory University of Cambridge The 6th BOINC Workshop — [removed]

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Source URL: boinc.berkeley.edu

Language: English - Date: 2010-09-02 04:26:29
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