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Journal of the American Society for Mass Spectrometry
|
July 9, 2014
Zundel-type H-bonding in biomolecular ions
Oscar Hernandez, Peter Pulay, Philippe Maître, et al.
Journal of Biomolecular Structure & Dynamics
|
July 30, 2002
Backbone structure confirmation and side chain conformation refinement of a bradykinin mimic BKM-824 by comparing calculated (1)H, (13)C and (19)F chemical shifts with experiment
Bing Wang, Mark Miskolizie, George Kotovych, et al.
Journal of Computational Chemistry
|
December 24, 2002
Parallel stored-integral and semidirect Hartree-Fock and DFT methods with data compression
Alexander V Mitin, Jon Baker, Krzysztof Wolinski, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
April 11, 2003
Calculated and experimental geometries and infrared spectra of metal tris-acetylacetonates: vibrational spectroscopy as a probe of molecular structure for ionic complexes. Part II
Irina Diaz-Acosta, Jon Baker, James F Hinton, et al.
The Journal of Chemical Physics
|
July 3, 2015
Selection of active spaces for multiconfigurational wavefunctions
Sebastian Keller, Katharina Boguslawski, Tomasz Janowski, et al.
Journal of Chemical Theory and Computation
|
November 28, 2018
Automatic Construction of the Initial Orbitals for Efficient Generalized Valence Bond Calculations of Large Systems
Qingchun Wang, Jingxiang Zou, Enhua Xu, et al.
Journal of Chemical Theory and Computation
|
May 16, 2019
Analytical Energy Gradients for the Cluster-in-Molecule MP2 Method and Its Application to Geometry Optimizations of Large Systems
Zhigang Ni, Yuqi Wang, Wei Li, et al.
Journal of Chemical Theory and Computation
|
October 8, 2013
The accuracy of quantum chemical methods for large noncovalent complexes
Robert Sedlak, Tomasz Janowski, Michal Pitoňák, et al.
Journal of Computational Chemistry
|
March 3, 2007
Accuracy of the three-body fragment molecular orbital method applied to Møller-Plesset perturbation theory
Dmitri G Fedorov, Kazuya Ishimura, Toyokazu Ishida, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
The Ethidium-UA/AU Intercalation Site: Effect of Model Fragmentation and Backbone Charge State
Karol M Langner, Tomasz Janowski, Robert W Góra, et al.
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of 4
Search research articles
Search
Showing results (21-30 of 35) with videos related to
Sort By:
Page
of 4
Journal of the American Society for Mass Spectrometry
|
July 9, 2014
Zundel-type H-bonding in biomolecular ions
Oscar Hernandez, Peter Pulay, Philippe Maître, et al.
Journal of Biomolecular Structure & Dynamics
|
July 30, 2002
Backbone structure confirmation and side chain conformation refinement of a bradykinin mimic BKM-824 by comparing calculated (1)H, (13)C and (19)F chemical shifts with experiment
Bing Wang, Mark Miskolizie, George Kotovych, et al.
Journal of Computational Chemistry
|
December 24, 2002
Parallel stored-integral and semidirect Hartree-Fock and DFT methods with data compression
Alexander V Mitin, Jon Baker, Krzysztof Wolinski, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
April 11, 2003
Calculated and experimental geometries and infrared spectra of metal tris-acetylacetonates: vibrational spectroscopy as a probe of molecular structure for ionic complexes. Part II
Irina Diaz-Acosta, Jon Baker, James F Hinton, et al.
The Journal of Chemical Physics
|
July 3, 2015
Selection of active spaces for multiconfigurational wavefunctions
Sebastian Keller, Katharina Boguslawski, Tomasz Janowski, et al.
Journal of Chemical Theory and Computation
|
November 28, 2018
Automatic Construction of the Initial Orbitals for Efficient Generalized Valence Bond Calculations of Large Systems
Qingchun Wang, Jingxiang Zou, Enhua Xu, et al.
Journal of Chemical Theory and Computation
|
May 16, 2019
Analytical Energy Gradients for the Cluster-in-Molecule MP2 Method and Its Application to Geometry Optimizations of Large Systems
Zhigang Ni, Yuqi Wang, Wei Li, et al.
Journal of Chemical Theory and Computation
|
October 8, 2013
The accuracy of quantum chemical methods for large noncovalent complexes
Robert Sedlak, Tomasz Janowski, Michal Pitoňák, et al.
Journal of Computational Chemistry
|
March 3, 2007
Accuracy of the three-body fragment molecular orbital method applied to Møller-Plesset perturbation theory
Dmitri G Fedorov, Kazuya Ishimura, Toyokazu Ishida, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
The Ethidium-UA/AU Intercalation Site: Effect of Model Fragmentation and Backbone Charge State
Karol M Langner, Tomasz Janowski, Robert W Góra, et al.
Page
of 4