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The Journal of Physical Chemistry. A|December 15, 2015
What Are the Ground State Structures of C20 and C24? An Explicitly Correlated Ab Initio ApproachDebashree Manna, Jan M L MartinThe Journal of Chemical Physics|October 18, 2006
The lowest singlet-triplet excitation energy of BN: A converged coupled cluster perspectiveAmir Karton, Jan M L MartinThe Journal of Chemical Physics|October 21, 2011
Basis set convergence of explicitly correlated double-hybrid density functional theory calculationsAmir Karton, Jan M L MartinThe Journal of Chemical Physics|April 3, 2012
Explicitly correlated Wn theory: W1-F12 and W2-F12Amir Karton, Jan M L MartinJournal 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 MartinThe Journal of Chemical Physics|August 12, 2004
Development of density functionals for thermochemical kineticsA Daniel Boese, Jan M L MartinJournal 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 KesharwaniChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 3, 2020
DFT and Empirical Considerations on Electrocatalytic Water/Carbon Dioxide Reduction by CoTMPyP in Neutral Aqueous Solutions*Yair Bochlin, Yeshayahu Ben-Eliyahu, Yanir Kadosh, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 10, 2021
Boron Tunneling in the "Weak" Bond-Stretch Isomerization of N-B Lewis AdductsAshim Nandi, Naziha Tarannam, Daniela Rodrigues Silva, et al.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 MartinPageof 18