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Andreas Klamt

Showing results (31-40 of 41) with videos related to

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Physical Chemistry Chemical Physics : PCCP|April 18, 2019
COSMOplex: self-consistent simulation of self-organizing inhomogeneous systems based on COSMO-RSAndreas Klamt, Johannes Schwöbel, Uwe Huniar, et al.
Journal of Chemical Information and Computer Sciences|November 26, 2002
A comparison between the two general sets of linear free energy descriptors of Abraham and KlamtAndreas M Zissimos, Michael H Abraham, Andreas Klamt, et al.
Journal of Computational Chemistry|August 30, 2008
Prediction of acidity in acetonitrile solution with COSMO-RSFrank Eckert, Ivo Leito, Ivari Kaljurand, et al.
Physical Chemistry Chemical Physics : PCCP|April 5, 2013
Interpretation of experimental hydrogen-bond enthalpies and entropies from COSMO polarisation charge densitiesAndreas Klamt, Jens Reinisch, Frank Eckert, et al.
Accounts of Chemical Research|February 19, 2009
On the performance of continuum solvation methods. A comment on "Universal approaches to solvation modeling"Andreas Klamt, Benedetta Mennucci, Jacopo Tomasi, et al.
The Journal of Physical Chemistry. B|March 29, 2020
COSMO<i>perm:</i> Mechanistic Prediction of Passive Membrane Permeability for Neutral Compounds and Ions and Its pH DependenceJohannes A H Schwöbel, Andrea Ebert, Kai Bittermann, et al.
The Journal of Physical Chemistry. B|December 3, 2014
Prediction of Phospholipid-Water Partition Coefficients of Ionic Organic Chemicals Using the Mechanistic Model COSMOmicKai Bittermann, Simon Spycher, Satoshi Endo, et al.
Physical Chemistry Chemical Physics : PCCP|May 12, 2015
Quantum chemical insights into the dependence of porphyrin basicity on the meso-aryl substituents: thermodynamics, buckling, reaction sites and molecular flexibilityMartin Presselt, Wim Dehaen, Wouter Maes, et al.
Physical Chemistry Chemical Physics : PCCP|April 2, 2019
Ab initio prediction of structuring/mesoscale inhomogeneities in surfactant-free microemulsions and hydrogen-bonding-free microemulsionsMaximilian Hahn, Sebastian Krickl, Thomas Buchecker, et al.
The Journal of Physical Chemistry. B|April 21, 2011
Ionic liquids: predictions of physicochemical properties with experimental and/or DFT-calculated LFER parameters to understand molecular interactions in solutionChul-Woong Cho, Ulrich Preiss, Christian Jungnickel, et al.
Pageof 5

Showing results (31-40 of 41) with videos related to

Sort By:
Pageof 5
Physical Chemistry Chemical Physics : PCCP|April 18, 2019
COSMOplex: self-consistent simulation of self-organizing inhomogeneous systems based on COSMO-RSAndreas Klamt, Johannes Schwöbel, Uwe Huniar, et al.
Journal of Chemical Information and Computer Sciences|November 26, 2002
A comparison between the two general sets of linear free energy descriptors of Abraham and KlamtAndreas M Zissimos, Michael H Abraham, Andreas Klamt, et al.
Journal of Computational Chemistry|August 30, 2008
Prediction of acidity in acetonitrile solution with COSMO-RSFrank Eckert, Ivo Leito, Ivari Kaljurand, et al.
Physical Chemistry Chemical Physics : PCCP|April 5, 2013
Interpretation of experimental hydrogen-bond enthalpies and entropies from COSMO polarisation charge densitiesAndreas Klamt, Jens Reinisch, Frank Eckert, et al.
Accounts of Chemical Research|February 19, 2009
On the performance of continuum solvation methods. A comment on "Universal approaches to solvation modeling"Andreas Klamt, Benedetta Mennucci, Jacopo Tomasi, et al.
The Journal of Physical Chemistry. B|March 29, 2020
COSMO<i>perm:</i> Mechanistic Prediction of Passive Membrane Permeability for Neutral Compounds and Ions and Its pH DependenceJohannes A H Schwöbel, Andrea Ebert, Kai Bittermann, et al.
The Journal of Physical Chemistry. B|December 3, 2014
Prediction of Phospholipid-Water Partition Coefficients of Ionic Organic Chemicals Using the Mechanistic Model COSMOmicKai Bittermann, Simon Spycher, Satoshi Endo, et al.
Physical Chemistry Chemical Physics : PCCP|May 12, 2015
Quantum chemical insights into the dependence of porphyrin basicity on the meso-aryl substituents: thermodynamics, buckling, reaction sites and molecular flexibilityMartin Presselt, Wim Dehaen, Wouter Maes, et al.
Physical Chemistry Chemical Physics : PCCP|April 2, 2019
Ab initio prediction of structuring/mesoscale inhomogeneities in surfactant-free microemulsions and hydrogen-bonding-free microemulsionsMaximilian Hahn, Sebastian Krickl, Thomas Buchecker, et al.
The Journal of Physical Chemistry. B|April 21, 2011
Ionic liquids: predictions of physicochemical properties with experimental and/or DFT-calculated LFER parameters to understand molecular interactions in solutionChul-Woong Cho, Ulrich Preiss, Christian Jungnickel, et al.
Pageof 5