Showing results (91-100 of 173) with videos related to
Sort By:
Pageof 18
The Journal of Physical Chemistry. A|May 19, 2021
Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with xDSD as a Special CaseGolokesh Santra, Minsik Cho, Jan M L MartinThe 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 MartinJournal 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 BarThe 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 MartinThe Journal of Physical Chemistry. A|August 21, 2024
Basis Set Extrapolation from the Vanishing Counterpoise Correction ConditionVladimir Fishman, Emmanouil Semidalas, Jan M L MartinThe Journal of Physical Chemistry. A|August 5, 2022
Benefits of Range-Separated Hybrid and Double-Hybrid Functionals for a Large and Diverse Data Set of Reaction Energies and Barrier HeightsGolokesh Santra, Rivka Calinsky, Jan M L MartinThe Journal of Physical Chemistry. A|May 29, 2019
Minimally Empirical Double-Hybrid Functionals Trained against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4Golokesh Santra, Nitai Sylvetsky, Jan M L MartinThe Journal of Physical Chemistry. A|March 29, 2007
Polarizability of small carbon cluster anions from first principlesOlga Guliamov, Leeor Kronik, Jan M L MartinThe Journal of Physical Chemistry. A|February 24, 2024
W4Λ: Leveraging Λ Coupled-Cluster for Accurate Computational Thermochemistry ApproachesEmmanouil Semidalas, Amir Karton, Jan M L MartinJournal of Computational Chemistry|July 5, 2017
W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methodsAmir Karton, Nitai Sylvetsky, Jan M L MartinPageof 18