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Jon Baker

Showing results (1-10 of 23) with videos related to

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The Journal of Chemical Physics|July 26, 2006
A critical assessment of the use of compliance constants as bond strength descriptors for weak interatomic interactionsJon Baker
Journal of Computational Chemistry|September 29, 2011
An efficient parallel algorithm for the calculation of unrestricted canonical MP2 energiesJon Baker, Krzysztof Wolinski
Journal of Computational Chemistry|June 24, 2003
Assessment of the OLYP and O3LYP density functionals for first-row transition metalsJon Baker, Peter Pulay
Journal of Molecular Modeling|September 15, 2010
Kinetically stable high-energy isomers of C14H12 and C12H10N2 derived from cis-stilbene and cis-azobenzeneJon Baker, Krzysztof Wolinski
Journal of Computational Chemistry|July 21, 2010
Isomerization of stilbene using enforced geometry optimizationJon Baker, Krzysztof Wolinski
Journal of Computational Chemistry|July 13, 2002
An efficient parallel algorithm for the calculation of canonical MP2 energiesJon Baker, Peter Pulay
Journal of the American Chemical Society|August 31, 2006
The interpretation of compliance constants and their suitability for characterizing hydrogen bonds and other weak interactionsJon Baker, Peter Pulay
The Journal of Physical Chemistry. A|December 8, 2009
A reliable and efficient first principles-based method for predicting pK(a) values. 1. MethodologyShuming Zhang, Jon Baker, Peter Pulay
Journal of Computational Chemistry|May 9, 2007
Parallel DFT gradients using the Fourier Transform Coulomb methodJon Baker, Krzysztof Wolinski, Peter Pulay
The Journal of Physical Chemistry. A|January 9, 2010
A reliable and efficient first principles-based method for predicting pK(a) values. 2. Organic acidsShuming Zhang, Jon Baker, Peter Pulay
Pageof 3

Showing results (1-10 of 23) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|July 26, 2006
A critical assessment of the use of compliance constants as bond strength descriptors for weak interatomic interactionsJon Baker
Journal of Computational Chemistry|September 29, 2011
An efficient parallel algorithm for the calculation of unrestricted canonical MP2 energiesJon Baker, Krzysztof Wolinski
Journal of Computational Chemistry|June 24, 2003
Assessment of the OLYP and O3LYP density functionals for first-row transition metalsJon Baker, Peter Pulay
Journal of Molecular Modeling|September 15, 2010
Kinetically stable high-energy isomers of C14H12 and C12H10N2 derived from cis-stilbene and cis-azobenzeneJon Baker, Krzysztof Wolinski
Journal of Computational Chemistry|July 21, 2010
Isomerization of stilbene using enforced geometry optimizationJon Baker, Krzysztof Wolinski
Journal of Computational Chemistry|July 13, 2002
An efficient parallel algorithm for the calculation of canonical MP2 energiesJon Baker, Peter Pulay
Journal of the American Chemical Society|August 31, 2006
The interpretation of compliance constants and their suitability for characterizing hydrogen bonds and other weak interactionsJon Baker, Peter Pulay
The Journal of Physical Chemistry. A|December 8, 2009
A reliable and efficient first principles-based method for predicting pK(a) values. 1. MethodologyShuming Zhang, Jon Baker, Peter Pulay
Journal of Computational Chemistry|May 9, 2007
Parallel DFT gradients using the Fourier Transform Coulomb methodJon Baker, Krzysztof Wolinski, Peter Pulay
The Journal of Physical Chemistry. A|January 9, 2010
A reliable and efficient first principles-based method for predicting pK(a) values. 2. Organic acidsShuming Zhang, Jon Baker, Peter Pulay
Pageof 3