Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Andreas Klamt

Showing results (21-30 of 41) with videos related to

Pageof 5
Sort By:
Journal of Chemical Information and Modeling|July 19, 2012
COSMOsar3D: molecular field analysis based on local COSMO σ-profilesAndreas Klamt, Michael Thormann, Karin Wichmann, et al.
Journal of Computer-Aided Molecular Design|July 28, 2016
Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data setAndreas Klamt, Frank Eckert, Jens Reinisch, et al.
Journal of Chemical Information and Modeling|September 27, 2005
Use of surface charges from DFT calculations to predict intestinal absorptionRon Jones, Paul C Connolly, Andreas Klamt, et al.
The Journal of Physical Chemistry. A|August 28, 2015
First Principles Calculations of Aqueous pKa Values for Organic and Inorganic Acids Using COSMO-RS Reveal an Inconsistency in the Slope of the pKa ScaleAndreas Klamt, Frank Eckert, Michael Diedenhofen, et al.
ACS Omega|September 10, 2019
Prediction of Partition Coefficients of Environmental Toxins Using Computational Chemistry MethodsDavid van der Spoel, Sergio Manzetti, Haiyang Zhang, et al.
Journal of Chemical Theory and Computation|November 26, 2015
Reliable Quantum Chemical Prediction of the Localized/Delocalized Character of Organic Mixed-Valence Radical Anions. From Continuum Solvent Models to Direct-COSMO-RSManuel Renz, Martin Kess, Michael Diedenhofen, et al.
Physical Chemistry Chemical Physics : PCCP|November 29, 2011
Polarization charge densities provide a predictive quantification of hydrogen bond energiesAndreas Klamt, Jens Reinisch, Frank Eckert, et al.
The Journal of Physical Chemistry. A|February 10, 2006
Calculation of solvent shifts on electronic g-tensors with the conductor-like screening model (COSMO) and its self-consistent generalization to real solvents (direct COSMO-RS)Sebastian Sinnecker, Arivazhagan Rajendran, Andreas Klamt, et al.
Journal of Computational Chemistry|April 2, 2002
Prediction of aqueous solubility of drugs and pesticides with COSMO-RSAndreas Klamt, Frank Eckert, Martin Hornig, et al.
Physical Chemistry Chemical Physics : PCCP|August 9, 2008
Probing carboxylate Gibbs transfer energies via liquid|liquid transfer at triple phase boundary electrodes: ion-transfer voltammetry versus COSMO-RS predictionsStuart M MacDonald, Marcin Opallo, Andreas Klamt, et al.
Pageof 5

Showing results (21-30 of 41) with videos related to

Sort By:
Pageof 5
Journal of Chemical Information and Modeling|July 19, 2012
COSMOsar3D: molecular field analysis based on local COSMO σ-profilesAndreas Klamt, Michael Thormann, Karin Wichmann, et al.
Journal of Computer-Aided Molecular Design|July 28, 2016
Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data setAndreas Klamt, Frank Eckert, Jens Reinisch, et al.
Journal of Chemical Information and Modeling|September 27, 2005
Use of surface charges from DFT calculations to predict intestinal absorptionRon Jones, Paul C Connolly, Andreas Klamt, et al.
The Journal of Physical Chemistry. A|August 28, 2015
First Principles Calculations of Aqueous pKa Values for Organic and Inorganic Acids Using COSMO-RS Reveal an Inconsistency in the Slope of the pKa ScaleAndreas Klamt, Frank Eckert, Michael Diedenhofen, et al.
ACS Omega|September 10, 2019
Prediction of Partition Coefficients of Environmental Toxins Using Computational Chemistry MethodsDavid van der Spoel, Sergio Manzetti, Haiyang Zhang, et al.
Journal of Chemical Theory and Computation|November 26, 2015
Reliable Quantum Chemical Prediction of the Localized/Delocalized Character of Organic Mixed-Valence Radical Anions. From Continuum Solvent Models to Direct-COSMO-RSManuel Renz, Martin Kess, Michael Diedenhofen, et al.
Physical Chemistry Chemical Physics : PCCP|November 29, 2011
Polarization charge densities provide a predictive quantification of hydrogen bond energiesAndreas Klamt, Jens Reinisch, Frank Eckert, et al.
The Journal of Physical Chemistry. A|February 10, 2006
Calculation of solvent shifts on electronic g-tensors with the conductor-like screening model (COSMO) and its self-consistent generalization to real solvents (direct COSMO-RS)Sebastian Sinnecker, Arivazhagan Rajendran, Andreas Klamt, et al.
Journal of Computational Chemistry|April 2, 2002
Prediction of aqueous solubility of drugs and pesticides with COSMO-RSAndreas Klamt, Frank Eckert, Martin Hornig, et al.
Physical Chemistry Chemical Physics : PCCP|August 9, 2008
Probing carboxylate Gibbs transfer energies via liquid|liquid transfer at triple phase boundary electrodes: ion-transfer voltammetry versus COSMO-RS predictionsStuart M MacDonald, Marcin Opallo, Andreas Klamt, et al.
Pageof 5