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Walter Thiel

Showing results (11-20 of 307) with videos related to

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The Journal of Physical Chemistry. A|June 11, 2019
Equilibrium Structures of the Phosphorus Trihalides PF<sub>3</sub> and PCl<sub>3</sub>, and the Phosphoranes PH<sub>3</sub>F<sub>2</sub>, PF<sub>5</sub>, PCl<sub>3</sub>F<sub>2</sub>, and PCl<sub>5</sub>Jürgen Breidung, Walter Thiel
Chemistry (Weinheim an Der Bergstrasse, Germany)|June 28, 2012
Origin of selectivity of Tsuji-Trost allylic alkylation of lactones: highly ordered transition states with lithium-containing enolatesMahendra Patil, Walter Thiel
Physical Chemistry Chemical Physics : PCCP|August 9, 2012
Nonadiabatic dynamics of a truncated indigo modelGanglong Cui, Walter Thiel
Inorganic Chemistry|September 28, 2004
Density functional study of valence trapping in a mixed-valent dimanganese complexMichael Bühl, Walter Thiel
Physical Chemistry Chemical Physics : PCCP|April 12, 2008
OMx-D: semiempirical methods with orthogonalization and dispersion corrections. Implementation and biochemical applicationTell Tuttle, Walter Thiel
The Journal of Chemical Physics|July 11, 2006
Analysis of the statistical error in umbrella sampling simulations by umbrella integrationJohannes Kästner, Walter Thiel
The Journal of Physical Chemistry. B|January 7, 2010
QM/MM studies of xanthine oxidase: variations of cofactor, substrate, and active-site Glu802Sebastian Metz, Walter Thiel
The Journal of Chemical Physics|October 22, 2005
Bridging the gap between thermodynamic integration and umbrella sampling provides a novel analysis method: "Umbrella integration"Johannes Kästner, Walter Thiel
Journal of Chemical Theory and Computation|November 26, 2015
Solvent Boundary Potentials for Hybrid QM/MM Computations Using Classical Drude Oscillators: A Fully Polarizable ModelEliot Boulanger, Walter Thiel
Journal of Chemical Theory and Computation|July 16, 2016
Periodic Boundary Conditions in QM/MM Calculations: Implementation and TestsTatiana Vasilevskaya, Walter Thiel
Pageof 31

Showing results (11-20 of 307) with videos related to

Sort By:
Pageof 31
The Journal of Physical Chemistry. A|June 11, 2019
Equilibrium Structures of the Phosphorus Trihalides PF<sub>3</sub> and PCl<sub>3</sub>, and the Phosphoranes PH<sub>3</sub>F<sub>2</sub>, PF<sub>5</sub>, PCl<sub>3</sub>F<sub>2</sub>, and PCl<sub>5</sub>Jürgen Breidung, Walter Thiel
Chemistry (Weinheim an Der Bergstrasse, Germany)|June 28, 2012
Origin of selectivity of Tsuji-Trost allylic alkylation of lactones: highly ordered transition states with lithium-containing enolatesMahendra Patil, Walter Thiel
Physical Chemistry Chemical Physics : PCCP|August 9, 2012
Nonadiabatic dynamics of a truncated indigo modelGanglong Cui, Walter Thiel
Inorganic Chemistry|September 28, 2004
Density functional study of valence trapping in a mixed-valent dimanganese complexMichael Bühl, Walter Thiel
Physical Chemistry Chemical Physics : PCCP|April 12, 2008
OMx-D: semiempirical methods with orthogonalization and dispersion corrections. Implementation and biochemical applicationTell Tuttle, Walter Thiel
The Journal of Chemical Physics|July 11, 2006
Analysis of the statistical error in umbrella sampling simulations by umbrella integrationJohannes Kästner, Walter Thiel
The Journal of Physical Chemistry. B|January 7, 2010
QM/MM studies of xanthine oxidase: variations of cofactor, substrate, and active-site Glu802Sebastian Metz, Walter Thiel
The Journal of Chemical Physics|October 22, 2005
Bridging the gap between thermodynamic integration and umbrella sampling provides a novel analysis method: "Umbrella integration"Johannes Kästner, Walter Thiel
Journal of Chemical Theory and Computation|November 26, 2015
Solvent Boundary Potentials for Hybrid QM/MM Computations Using Classical Drude Oscillators: A Fully Polarizable ModelEliot Boulanger, Walter Thiel
Journal of Chemical Theory and Computation|July 16, 2016
Periodic Boundary Conditions in QM/MM Calculations: Implementation and TestsTatiana Vasilevskaya, Walter Thiel
Pageof 31