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H Bernhard

Showing results (41-50 of 261) with videos related to

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Journal of Computational Chemistry|April 8, 2015
Using bonding to guide transition state optimizationAdam B Birkholz, H Bernhard Schlegel
The Journal of Chemical Physics|January 3, 2016
Path optimization by a variational reaction coordinate method. I. Development of formalism and algorithmsAdam B Birkholz, H Bernhard Schlegel
Journal of Chemical Theory and Computation|December 4, 2015
Empirical Valence-Bond Models for Reactive Potential Energy Surfaces Using Distributed GaussiansH Bernhard Schlegel, Jason L Sonnenberg
The Journal of Chemical Physics|May 16, 2016
Path optimization by a variational reaction coordinate method. II. Improved computational efficiency through internal coordinates and surface interpolationAdam B Birkholz, H Bernhard Schlegel
The Journal of Physical Chemistry. A|April 2, 2025
Evaluation of Diffuse Basis Sets for Simulations of Strong Field Ionization Using Time-Dependent Configuration Interaction with a Complex Absorbing PotentialAndrew S Durden, H Bernhard Schlegel
Chemical Research in Toxicology|December 29, 2018
Computational Study of the pH-Dependent Competition between Carbonate and Thymine Addition to the Guanine RadicalSebastien P Hebert, H Bernhard Schlegel
The Journal of Chemical Physics|July 23, 2004
Accurate reaction paths using a Hessian based predictor-corrector integratorHrant P Hratchian, H Bernhard Schlegel
Rapid Communications in Mass Spectrometry : RCM|January 7, 2012
Reduced fragmentation in liquid injection field desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry by use of helium for the thermalization of molecular ionsH Bernhard Linden, Jürgen H Gross
The Journal of Physical Chemistry. A|March 7, 2024
Mechanism of the Sharpless Epoxidation Reaction: A DFT StudyRobert D Bach, H Bernhard Schlegel
The Journal of Physical Chemistry. A|September 20, 2011
TD-CI simulation of the electronic optical response of molecules in intense fields II: comparison of DFT functionals and EOM-CCSDJason A Sonk, H Bernhard Schlegel
Pageof 27

Showing results (41-50 of 261) with videos related to

Sort By:
Pageof 27
Journal of Computational Chemistry|April 8, 2015
Using bonding to guide transition state optimizationAdam B Birkholz, H Bernhard Schlegel
The Journal of Chemical Physics|January 3, 2016
Path optimization by a variational reaction coordinate method. I. Development of formalism and algorithmsAdam B Birkholz, H Bernhard Schlegel
Journal of Chemical Theory and Computation|December 4, 2015
Empirical Valence-Bond Models for Reactive Potential Energy Surfaces Using Distributed GaussiansH Bernhard Schlegel, Jason L Sonnenberg
The Journal of Chemical Physics|May 16, 2016
Path optimization by a variational reaction coordinate method. II. Improved computational efficiency through internal coordinates and surface interpolationAdam B Birkholz, H Bernhard Schlegel
The Journal of Physical Chemistry. A|April 2, 2025
Evaluation of Diffuse Basis Sets for Simulations of Strong Field Ionization Using Time-Dependent Configuration Interaction with a Complex Absorbing PotentialAndrew S Durden, H Bernhard Schlegel
Chemical Research in Toxicology|December 29, 2018
Computational Study of the pH-Dependent Competition between Carbonate and Thymine Addition to the Guanine RadicalSebastien P Hebert, H Bernhard Schlegel
The Journal of Chemical Physics|July 23, 2004
Accurate reaction paths using a Hessian based predictor-corrector integratorHrant P Hratchian, H Bernhard Schlegel
Rapid Communications in Mass Spectrometry : RCM|January 7, 2012
Reduced fragmentation in liquid injection field desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry by use of helium for the thermalization of molecular ionsH Bernhard Linden, Jürgen H Gross
The Journal of Physical Chemistry. A|March 7, 2024
Mechanism of the Sharpless Epoxidation Reaction: A DFT StudyRobert D Bach, H Bernhard Schlegel
The Journal of Physical Chemistry. A|September 20, 2011
TD-CI simulation of the electronic optical response of molecules in intense fields II: comparison of DFT functionals and EOM-CCSDJason A Sonk, H Bernhard Schlegel
Pageof 27