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The Journal of Chemical Physics
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June 11, 2009
Coupled-cluster calculations of C(2)H(2)Si and CNHSi structural isomers
Sven Thorwirth, Michael E Harding
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 11, 2012
Benchmarking the lithium-thiophene complex
Michael E Harding, Wim Klopper
Journal of Chemical Theory and Computation
|
November 28, 2015
Parallel Calculation of CCSDT and Mk-MRCCSDT Energies
Eric Prochnow, Michael E Harding, Jürgen Gauss
The Journal of Physical Chemistry. A
|
March 3, 2011
Why benchmark-quality computations are needed to reproduce 1-adamantyl cation NMR chemical shifts accurately
Michael E Harding, Jürgen Gauss, Paul von Ragué Schleyer
The Journal of Physical Chemistry. A
|
July 9, 2009
High-accuracy extrapolated ab initio thermochemistry of the propargyl radical and the singlet C(3)H(2) carbenes
Juana Vázquez, Michael E Harding, Jürgen Gauss, et al.
Journal of Chemical Theory and Computation
|
December 2, 2015
Parallel Calculation of CCSD and CCSD(T) Analytic First and Second Derivatives
Michael E Harding, Thorsten Metzroth, Jürgen Gauss, et al.
The Journal of Physical Chemistry. A
|
December 1, 2007
High-accuracy extrapolated ab initio thermochemistry of vinyl chloride
Michael E Harding, Jürgen Gauss, Klaus Pflüger, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Vibrational Energy Levels via Finite-Basis Calculations Using a Quasi-Analytic Form of the Kinetic Energy
Juana Vázquez, Michael E Harding, John F Stanton, et al.
The Journal of Chemical Physics
|
July 8, 2008
Quantitative prediction of gas-phase 19F nuclear magnetic shielding constants
Michael E Harding, Michael Lenhart, Alexander A Auer, et al.
The Journal of Physical Chemistry. A
|
June 26, 2026
High-Accuracy Extrapolated Ab Initio Thermochemistry of C<sub>3</sub>O, HC<sub>3</sub>O<sup>+</sup>, C<sub>3</sub>S, and HC<sub>3</sub>S<sup></sup>
Marvin Kolter, Juana Vázquez Quesada, Sven Thorwirth, et al.
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of 5
Search research articles
Search
Showing results (1-10 of 41) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
June 11, 2009
Coupled-cluster calculations of C(2)H(2)Si and CNHSi structural isomers
Sven Thorwirth, Michael E Harding
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 11, 2012
Benchmarking the lithium-thiophene complex
Michael E Harding, Wim Klopper
Journal of Chemical Theory and Computation
|
November 28, 2015
Parallel Calculation of CCSDT and Mk-MRCCSDT Energies
Eric Prochnow, Michael E Harding, Jürgen Gauss
The Journal of Physical Chemistry. A
|
March 3, 2011
Why benchmark-quality computations are needed to reproduce 1-adamantyl cation NMR chemical shifts accurately
Michael E Harding, Jürgen Gauss, Paul von Ragué Schleyer
The Journal of Physical Chemistry. A
|
July 9, 2009
High-accuracy extrapolated ab initio thermochemistry of the propargyl radical and the singlet C(3)H(2) carbenes
Juana Vázquez, Michael E Harding, Jürgen Gauss, et al.
Journal of Chemical Theory and Computation
|
December 2, 2015
Parallel Calculation of CCSD and CCSD(T) Analytic First and Second Derivatives
Michael E Harding, Thorsten Metzroth, Jürgen Gauss, et al.
The Journal of Physical Chemistry. A
|
December 1, 2007
High-accuracy extrapolated ab initio thermochemistry of vinyl chloride
Michael E Harding, Jürgen Gauss, Klaus Pflüger, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Vibrational Energy Levels via Finite-Basis Calculations Using a Quasi-Analytic Form of the Kinetic Energy
Juana Vázquez, Michael E Harding, John F Stanton, et al.
The Journal of Chemical Physics
|
July 8, 2008
Quantitative prediction of gas-phase 19F nuclear magnetic shielding constants
Michael E Harding, Michael Lenhart, Alexander A Auer, et al.
The Journal of Physical Chemistry. A
|
June 26, 2026
High-Accuracy Extrapolated Ab Initio Thermochemistry of C<sub>3</sub>O, HC<sub>3</sub>O<sup>+</sup>, C<sub>3</sub>S, and HC<sub>3</sub>S<sup></sup>
Marvin Kolter, Juana Vázquez Quesada, Sven Thorwirth, et al.
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of 5