JOURNAL OF GEOPHYSICAL RESEARCH, VOL. 111, D01302, doi:2005JD006149, 2006 Uncertainty in a chemistry-transport model due to physical parameterizations and numerical approximations: An ensemble approach applied t

Source URL: cerea.enpc.fr

• Operations research
• Computational science
• Simulation
• Climate modeling
• Monte Carlo method
• Accuracy and precision
• Atmospheric chemistry

Ciência Téc. Vitiv2014 CLASSIFICATION OF RED WINES FROM CONTROLLED DESIGNATION OF ORIGIN BY ULTRAVIOLET-VISIBLE AND NEAR-INFRARED SPECTRAL ANALYSIS CLASSIFICAÇÃO DE VINHOS TINTOS DE DENOMINAÇÕES DE

Source URL: www.ctv-jve-journal.org

• Galicia
• Geography of Spain
• Spectroscopy
• Chemistry
• Wine
• Green Spain
• Computational chemistry
• Galician wine
• Ras Baixas
• Caio tinto
• Mencia
• Ribeira Sacra

Journal of Theoretical and Computational Chemistry Vol. 14, Nopages) # .c World Scienti¯c Publishing Company DOI: S0219633615500236

Source URL: www.physics.usyd.edu.au

THE JOURNAL OF CHEMICAL PHYSICS 126, 046101 共2007兲 A common, avoidable source of error in molecular dynamics integrators Ross A. Lippert, Kevin J. Bowers, Ron O. Dror, Michael P. Eastwood, Brent A. Gregersen, John L

Source URL: www.deshawresearch.com

• Chemistry
• Computational chemistry
• Computational science
• Constraint algorithm
• Molecular dynamics

THE JOURNAL OF CHEMICAL PHYSICS 124, 184109 共2006兲 The midpoint method for parallelization of particle simulations Kevin J. Bowers and Ron O. Dror D. E. Shaw Research, LLC, 39th Floor, Tower 45, 120 West 45th Street

Source URL: www.deshawresearch.com

• Chemistry
• Physics
• Nature
• Molecular modelling
• Computational chemistry
• Elementary particles
• Leptons
• Computational physics
• Molecular dynamics
• Particle Mesh
• Electron
• Force field

Batista-Navarro et al. Journal of Cheminformatics 2015, 7(Suppl 1):S6 http://www.jcheminf.com/content/7/S1/S6 RESEARCH Open Access

Source URL: www.jcheminf.com

• Natural language processing
• Named-entity recognition
• Bigram
• Information extraction
• Part-of-speech tagging
• Chemistry
• SemEval
• Identifier
• Conditional random field
• Science
• Linguistics
• Computational linguistics

2013 Digital Rates SciVerse ScienceDirect: Chemistry SciVerse ScienceDirect CHEMISTRY—

Source URL: www.elsevierpublishingsolutions.com

• Medicinal chemistry
• Inorganica Chimica Acta
• Analytica Chimica Acta
• Journal of Molecular Structure
• Computational and Theoretical Chemistry
• Journal of Medicinal Chemistry
• Journal of Chromatography A
• Journal of Chromatography B
• Tetrahedron
• Publishing
• Academic publishing
• Chemistry

THE JOURNAL OF CHEMICAL PHYSICS 133, Ground and excited electronic states of azobenzene: A quantum Monte Carlo study M. Dubecký,1 R. Derian,1 L. Mitas,2 and I. Štich1,a) 1

Source URL: altair.physics.ncsu.edu

• Science
• Mathematical optimization
• Quantum Monte Carlo
• Variational Monte Carlo
• Density functional theory
• ACES
• Computational chemistry
• Chemistry
• Quantum chemistry
• Theoretical chemistry

Chemistry Central Journal Open Access Oral presentation SQUIRRELnovo: de novo design of a PPARα agonist by bioisosteric

Source URL: journal.chemistrycentral.com

• Drug discovery
• Frankfurt
• Goslar
• Peroxisome proliferator-activated receptor
• Biology
• Science
• Chemistry
• Computational chemistry
• Cheminformatics

Ertl Journal of Cheminformatics 2014, 6(Suppl 1):O4 http://www.jcheminf.com/content/6/S1/O4 ORAL PRESENTATION Open Access

Source URL: www.jcheminf.com

• Chemistry
• Computational science
• Chemical space
• Chemogenomics
• Chemistry Central
• Visualization
• Science
• Computational chemistry
• Cheminformatics