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Jan M L Martin

Showing results (31-40 of 120) with videos related to

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Journal of Chemical Theory and Computation|November 20, 2015
Halogen Bonds: Benchmarks and Theoretical AnalysisSebastian Kozuch, Jan M L Martin
Journal of Chemical Theory and Computation|February 24, 2021
What Types of Chemical Problems Benefit from Density-Corrected DFT? A Probe Using an Extensive and Chemically Diverse Test SuiteGolokesh Santra, Jan M L Martin
The Journal of Chemical Physics|August 12, 2004
Development of density functionals for thermochemical kineticsA Daniel Boese, Jan M L Martin
Journal of Chemical Theory and Computation|November 19, 2015
Assessment of CCSD(T)-F12 Approximations and Basis Sets for Harmonic Vibrational FrequenciesJan M L Martin, Manoj K Kesharwani
The Journal of Physical Chemistry. A|July 3, 2009
Benchmark thermochemistry of the C(n)H(2n+2) alkane isomers (n = 2-8) and performance of DFT and composite ab initio methods for dispersion-driven isomeric equilibriaAmir Karton, David Gruzman, Jan M L Martin
The Journal of Physical Chemistry. A|May 19, 2021
Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with <i>x</i>DSD as a Special CaseGolokesh Santra, Minsik Cho, Jan M L Martin
The Journal of Physical Chemistry. A|January 23, 2009
Post-CCSD(T) ab initio thermochemistry of halogen oxides and related hydrides XOX, XOOX, HOX, XOn, and HXOn (X = F, Cl), and evaluation of DFT methods for these systemsAmir Karton, Srinivasan Parthiban, Jan M L Martin
Journal of Computational Chemistry|December 29, 2007
Fundamental vibrational frequencies and dominant resonances in methylamine isotopologues by ab initio and density functional theory methodsChen Levi, Jan M L Martin, Ilana Bar
The Journal of Physical Chemistry Letters|September 22, 2021
Surprisingly Good Performance of XYG3 Family Functionals Using a Scaled KS-MP3 CorrelationGolokesh Santra, Emmanouil Semidalas, Jan M L Martin
The Journal of Physical Chemistry. A|August 21, 2024
Basis Set Extrapolation from the Vanishing Counterpoise Correction ConditionVladimir Fishman, Emmanouil Semidalas, Jan M L Martin
Pageof 12

Showing results (31-40 of 120) with videos related to

Sort By:
Pageof 12
Journal of Chemical Theory and Computation|November 20, 2015
Halogen Bonds: Benchmarks and Theoretical AnalysisSebastian Kozuch, Jan M L Martin
Journal of Chemical Theory and Computation|February 24, 2021
What Types of Chemical Problems Benefit from Density-Corrected DFT? A Probe Using an Extensive and Chemically Diverse Test SuiteGolokesh Santra, Jan M L Martin
The Journal of Chemical Physics|August 12, 2004
Development of density functionals for thermochemical kineticsA Daniel Boese, Jan M L Martin
Journal of Chemical Theory and Computation|November 19, 2015
Assessment of CCSD(T)-F12 Approximations and Basis Sets for Harmonic Vibrational FrequenciesJan M L Martin, Manoj K Kesharwani
The Journal of Physical Chemistry. A|July 3, 2009
Benchmark thermochemistry of the C(n)H(2n+2) alkane isomers (n = 2-8) and performance of DFT and composite ab initio methods for dispersion-driven isomeric equilibriaAmir Karton, David Gruzman, Jan M L Martin
The Journal of Physical Chemistry. A|May 19, 2021
Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with <i>x</i>DSD as a Special CaseGolokesh Santra, Minsik Cho, Jan M L Martin
The Journal of Physical Chemistry. A|January 23, 2009
Post-CCSD(T) ab initio thermochemistry of halogen oxides and related hydrides XOX, XOOX, HOX, XOn, and HXOn (X = F, Cl), and evaluation of DFT methods for these systemsAmir Karton, Srinivasan Parthiban, Jan M L Martin
Journal of Computational Chemistry|December 29, 2007
Fundamental vibrational frequencies and dominant resonances in methylamine isotopologues by ab initio and density functional theory methodsChen Levi, Jan M L Martin, Ilana Bar
The Journal of Physical Chemistry Letters|September 22, 2021
Surprisingly Good Performance of XYG3 Family Functionals Using a Scaled KS-MP3 CorrelationGolokesh Santra, Emmanouil Semidalas, Jan M L Martin
The Journal of Physical Chemistry. A|August 21, 2024
Basis Set Extrapolation from the Vanishing Counterpoise Correction ConditionVladimir Fishman, Emmanouil Semidalas, Jan M L Martin
Pageof 12