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The 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 Heights
Golokesh Santra, Rivka Calinsky, Jan M L Martin
The 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-D4
Golokesh Santra, Nitai Sylvetsky, Jan M L Martin
The Journal of Physical Chemistry. A
|
March 29, 2007
Polarizability of small carbon cluster anions from first principles
Olga Guliamov, Leeor Kronik, Jan M L Martin
The Journal of Physical Chemistry. A
|
February 24, 2024
W4Λ: Leveraging Λ Coupled-Cluster for Accurate Computational Thermochemistry Approaches
Emmanouil Semidalas, Amir Karton, Jan M L Martin
Journal of Computational Chemistry
|
July 5, 2017
W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methods
Amir Karton, Nitai Sylvetsky, Jan M L Martin
The Journal of Physical Chemistry. A
|
October 3, 2009
Performance of ab initio and density functional methods for conformational equilibria of C(n)H(2n+2) alkane isomers (n = 4-8)
David Gruzman, Amir Karton, Jan M L Martin
The Journal of Physical Chemistry. A
|
May 21, 2021
Exploring Avenues beyond Revised DSD Functionals: II. Random-Phase Approximation and Scaled MP3 Corrections
Golokesh Santra, Emmanouil Semidalas, Jan M L Martin
The Journal of Physical Chemistry. A
|
March 7, 2009
Economical post-CCSD(T) computational thermochemistry protocol and applications to some aromatic compounds
Amir Karton, Ilya Kaminker, Jan M L Martin
The Journal of Physical Chemistry. A
|
July 11, 2006
Rozen's epoxidation reagent, CH3CN.HOF: a theoretical study of its structure, vibrational spectroscopy, and reaction mechanism
Rotem Sertchook, A Daniel Boese, Jan M L Martin
The Journal of Chemical Physics
|
August 21, 2007
Basis set convergence of post-CCSD contributions to molecular atomization energies
Amir Karton, Peter R Taylor, Jan M L Martin
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of 12
Search research articles
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Showing results (41-50 of 120) with videos related to
Sort By:
Page
of 12
The 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 Heights
Golokesh Santra, Rivka Calinsky, Jan M L Martin
The 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-D4
Golokesh Santra, Nitai Sylvetsky, Jan M L Martin
The Journal of Physical Chemistry. A
|
March 29, 2007
Polarizability of small carbon cluster anions from first principles
Olga Guliamov, Leeor Kronik, Jan M L Martin
The Journal of Physical Chemistry. A
|
February 24, 2024
W4Λ: Leveraging Λ Coupled-Cluster for Accurate Computational Thermochemistry Approaches
Emmanouil Semidalas, Amir Karton, Jan M L Martin
Journal of Computational Chemistry
|
July 5, 2017
W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methods
Amir Karton, Nitai Sylvetsky, Jan M L Martin
The Journal of Physical Chemistry. A
|
October 3, 2009
Performance of ab initio and density functional methods for conformational equilibria of C(n)H(2n+2) alkane isomers (n = 4-8)
David Gruzman, Amir Karton, Jan M L Martin
The Journal of Physical Chemistry. A
|
May 21, 2021
Exploring Avenues beyond Revised DSD Functionals: II. Random-Phase Approximation and Scaled MP3 Corrections
Golokesh Santra, Emmanouil Semidalas, Jan M L Martin
The Journal of Physical Chemistry. A
|
March 7, 2009
Economical post-CCSD(T) computational thermochemistry protocol and applications to some aromatic compounds
Amir Karton, Ilya Kaminker, Jan M L Martin
The Journal of Physical Chemistry. A
|
July 11, 2006
Rozen's epoxidation reagent, CH3CN.HOF: a theoretical study of its structure, vibrational spectroscopy, and reaction mechanism
Rotem Sertchook, A Daniel Boese, Jan M L Martin
The Journal of Chemical Physics
|
August 21, 2007
Basis set convergence of post-CCSD contributions to molecular atomization energies
Amir Karton, Peter R Taylor, Jan M L Martin
Page
of 12