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Bernd Hartke

Showing results (11-20 of 49) with videos related to

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The Journal of Chemical Physics|May 1, 2017
Cheap but accurate calculation of chemical reaction rate constants from ab initio data, via system-specific, black-box force fieldsJulien Steffen, Bernd Hartke
Journal of Chemical Information and Modeling|August 8, 2022
Graph-based Automated Macro-Molecule AssemblyFlorian Spenke, Bernd Hartke
The Journal of Physical Chemistry. A|April 28, 2006
Larger water clusters with edges and corners on their way to ice: structural trends elucidated with an improved parallel evolutionary algorithmBernhard Bandow, Bernd Hartke
The Journal of Physical Chemistry. A|July 19, 2017
Full-Dimensional Excited-State Intramolecular Proton Transfer Dynamics of Salicylic AcidTim Raeker, Bernd Hartke
Physical Chemistry Chemical Physics : PCCP|June 16, 2015
Reactive force fields made simpleBernd Hartke, Stefan Grimme
Journal of Chemical Theory and Computation|June 9, 2018
Globally Optimal Catalytic Fields - Inverse Design of Abstract Embeddings for Maximum Reaction Rate AccelerationMark Dittner, Bernd Hartke
The Journal of Chemical Physics|July 10, 2009
Modeling of high-order many-mode terms in the expansion of multidimensional potential energy surfaces: application to vibrational spectraGuntram Rauhut, Bernd Hartke
Nature Communications|June 19, 2021
Improved prediction of solvation free energies by machine-learning polarizable continuum solvation modelAmin Alibakhshi, Bernd Hartke
The Journal of Chemical Physics|March 23, 2020
Globally optimal catalytic fields for a Diels-Alder reactionMark Dittner, Bernd Hartke
Physical Chemistry Chemical Physics : PCCP|December 21, 2013
Photochemical dynamics of E-methylfurylfulgide-kinematic effects on photorelaxation dynamics of furylfulgidesJan Boyke Schönborn, Bernd Hartke
Pageof 5

Showing results (11-20 of 49) with videos related to

Sort By:
Pageof 5
The Journal of Chemical Physics|May 1, 2017
Cheap but accurate calculation of chemical reaction rate constants from ab initio data, via system-specific, black-box force fieldsJulien Steffen, Bernd Hartke
Journal of Chemical Information and Modeling|August 8, 2022
Graph-based Automated Macro-Molecule AssemblyFlorian Spenke, Bernd Hartke
The Journal of Physical Chemistry. A|April 28, 2006
Larger water clusters with edges and corners on their way to ice: structural trends elucidated with an improved parallel evolutionary algorithmBernhard Bandow, Bernd Hartke
The Journal of Physical Chemistry. A|July 19, 2017
Full-Dimensional Excited-State Intramolecular Proton Transfer Dynamics of Salicylic AcidTim Raeker, Bernd Hartke
Physical Chemistry Chemical Physics : PCCP|June 16, 2015
Reactive force fields made simpleBernd Hartke, Stefan Grimme
Journal of Chemical Theory and Computation|June 9, 2018
Globally Optimal Catalytic Fields - Inverse Design of Abstract Embeddings for Maximum Reaction Rate AccelerationMark Dittner, Bernd Hartke
The Journal of Chemical Physics|July 10, 2009
Modeling of high-order many-mode terms in the expansion of multidimensional potential energy surfaces: application to vibrational spectraGuntram Rauhut, Bernd Hartke
Nature Communications|June 19, 2021
Improved prediction of solvation free energies by machine-learning polarizable continuum solvation modelAmin Alibakhshi, Bernd Hartke
The Journal of Chemical Physics|March 23, 2020
Globally optimal catalytic fields for a Diels-Alder reactionMark Dittner, Bernd Hartke
Physical Chemistry Chemical Physics : PCCP|December 21, 2013
Photochemical dynamics of E-methylfurylfulgide-kinematic effects on photorelaxation dynamics of furylfulgidesJan Boyke Schönborn, Bernd Hartke
Pageof 5