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Uwe Huniar

Showing results (1-10 of 10) with videos related to

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Journal of the American Chemical Society|February 26, 2004
Density functional theory calculations and exploration of a possible mechanism of N2 reduction by nitrogenaseUwe Huniar, Reinhart Ahlrichs, Dimitri Coucouvanis
Journal of Computational Chemistry|January 27, 2012
thermocalc - a poor man's approach to computational thermochemistryArnim Hellweg, Michael Diedenhofen, Uwe Huniar
The Journal of Physical Chemistry. B|August 30, 2008
COSMOmic: a mechanistic approach to the calculation of membrane-water partition coefficients and internal distributions within membranes and micellesAndreas Klamt, Uwe Huniar, Simon Spycher, et al.
Journal of Computational Chemistry|October 8, 2010
TmoleX--a graphical user interface for TURBOMOLEClaudia Steffen, Klaus Thomas, Uwe Huniar, et al.
Angewandte Chemie (International Ed. in English)|May 2, 2018
Sodium Tetra-tert-butylcyclopentaphosphanide: Synthesis, Structure, and Unexpected Formation of a Nickel(0) Tri-tert-butylcyclopentaphosphene ComplexAndrea Schisler, Peter Lönnecke, Uwe Huniar, et al.
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.
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.
The Journal of Chemical Physics|February 16, 2021
r<sup>2</sup>SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applicationsSebastian Ehlert, Uwe Huniar, Jinliang Ning, et al.
The Journal of Chemical Physics|May 17, 2020
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulationsSree Ganesh Balasubramani, Guo P Chen, Sonia Coriani, et al.
Pageof 1

Showing results (1-10 of 10) with videos related to

Sort By:
Pageof 1
Journal of the American Chemical Society|February 26, 2004
Density functional theory calculations and exploration of a possible mechanism of N2 reduction by nitrogenaseUwe Huniar, Reinhart Ahlrichs, Dimitri Coucouvanis
Journal of Computational Chemistry|January 27, 2012
thermocalc - a poor man's approach to computational thermochemistryArnim Hellweg, Michael Diedenhofen, Uwe Huniar
The Journal of Physical Chemistry. B|August 30, 2008
COSMOmic: a mechanistic approach to the calculation of membrane-water partition coefficients and internal distributions within membranes and micellesAndreas Klamt, Uwe Huniar, Simon Spycher, et al.
Journal of Computational Chemistry|October 8, 2010
TmoleX--a graphical user interface for TURBOMOLEClaudia Steffen, Klaus Thomas, Uwe Huniar, et al.
Angewandte Chemie (International Ed. in English)|May 2, 2018
Sodium Tetra-tert-butylcyclopentaphosphanide: Synthesis, Structure, and Unexpected Formation of a Nickel(0) Tri-tert-butylcyclopentaphosphene ComplexAndrea Schisler, Peter Lönnecke, Uwe Huniar, et al.
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.
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.
The Journal of Chemical Physics|February 16, 2021
r<sup>2</sup>SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applicationsSebastian Ehlert, Uwe Huniar, Jinliang Ning, et al.
The Journal of Chemical Physics|May 17, 2020
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulationsSree Ganesh Balasubramani, Guo P Chen, Sonia Coriani, et al.
Pageof 1