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Physical Chemistry Chemical Physics : PCCP
|
April 20, 2022
Molecular interactions in diffusion-controlled aldol condensation with mesoporous silica nanoparticles
Yu Lim Kim, James W Evans, Mark S Gordon
The Journal of Chemical Physics
|
March 3, 2005
Multireference second-order perturbation theory: how size consistent is "almost size consistent"
Jamie M Rintelman, Ivana Adamovic, Sergey Varganov, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 6, 2021
Bonding analysis of water clusters using quasi-atomic orbitals
Jorge L Galvez Vallejo, Juan Duchimaza Heredia, Mark S Gordon
The Journal of Chemical Physics
|
July 17, 2009
A combined effective fragment potential-fragment molecular orbital method. I. The energy expression and initial applications
Takeshi Nagata, Dmitri G Fedorov, Kazuo Kitaura, et al.
The Journal of Physical Chemistry. A
|
November 28, 2018
A Quasi-Atomic Analysis of Three-Center Two-Electron Zr-H-Si Interactions
Juan J Duchimaza Heredia, Aaron D Sadow, Mark S Gordon
The Journal of Physical Chemistry. A
|
June 15, 2019
Quasi-Atomic Bond Analyses in the Sixth Period: II. Bond Analyses of Cerium Oxides
George Schoendorff, Michael W Schmidt, Klaus Ruedenberg, et al.
The Journal of Physical Chemistry. A
|
January 13, 2006
Modeling styrene-styrene interactions
Ivana Adamovic, Hui Li, Monica H Lamm, et al.
Journal of Chemical Theory and Computation
|
December 18, 2024
Systematic Investigation of Electronic States and Bond Properties of LnO, LnO<sup>+</sup>, LnS, and LnS<sup>+</sup> (Ln = La-Lu) by Spin-Orbit Multiconfiguration Perturbation Theory
Taiji Nakamura, George Schoendorff, Dong-Sheng Yang, et al.
The Journal of Physical Chemistry. A
|
February 6, 2007
Theoretical study of the pyrolysis of methyltrichlorosilane in the gas phase. 1. Thermodynamics
Yingbin Ge, Mark S Gordon, Francine Battaglia, et al.
The Journal of Physical Chemistry. A
|
July 29, 2011
Solvent-induced shift of the lowest singlet π → π* charge-transfer excited state of p-nitroaniline in water: an application of the TDDFT/EFP1 method
Sarom Sok, Soohaeng Y Willow, Federico Zahariev, et al.
Page
of 26
Search research articles
Search
Showing results (121-130 of 258) with videos related to
Sort By:
Page
of 26
Physical Chemistry Chemical Physics : PCCP
|
April 20, 2022
Molecular interactions in diffusion-controlled aldol condensation with mesoporous silica nanoparticles
Yu Lim Kim, James W Evans, Mark S Gordon
The Journal of Chemical Physics
|
March 3, 2005
Multireference second-order perturbation theory: how size consistent is "almost size consistent"
Jamie M Rintelman, Ivana Adamovic, Sergey Varganov, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 6, 2021
Bonding analysis of water clusters using quasi-atomic orbitals
Jorge L Galvez Vallejo, Juan Duchimaza Heredia, Mark S Gordon
The Journal of Chemical Physics
|
July 17, 2009
A combined effective fragment potential-fragment molecular orbital method. I. The energy expression and initial applications
Takeshi Nagata, Dmitri G Fedorov, Kazuo Kitaura, et al.
The Journal of Physical Chemistry. A
|
November 28, 2018
A Quasi-Atomic Analysis of Three-Center Two-Electron Zr-H-Si Interactions
Juan J Duchimaza Heredia, Aaron D Sadow, Mark S Gordon
The Journal of Physical Chemistry. A
|
June 15, 2019
Quasi-Atomic Bond Analyses in the Sixth Period: II. Bond Analyses of Cerium Oxides
George Schoendorff, Michael W Schmidt, Klaus Ruedenberg, et al.
The Journal of Physical Chemistry. A
|
January 13, 2006
Modeling styrene-styrene interactions
Ivana Adamovic, Hui Li, Monica H Lamm, et al.
Journal of Chemical Theory and Computation
|
December 18, 2024
Systematic Investigation of Electronic States and Bond Properties of LnO, LnO<sup>+</sup>, LnS, and LnS<sup>+</sup> (Ln = La-Lu) by Spin-Orbit Multiconfiguration Perturbation Theory
Taiji Nakamura, George Schoendorff, Dong-Sheng Yang, et al.
The Journal of Physical Chemistry. A
|
February 6, 2007
Theoretical study of the pyrolysis of methyltrichlorosilane in the gas phase. 1. Thermodynamics
Yingbin Ge, Mark S Gordon, Francine Battaglia, et al.
The Journal of Physical Chemistry. A
|
July 29, 2011
Solvent-induced shift of the lowest singlet π → π* charge-transfer excited state of p-nitroaniline in water: an application of the TDDFT/EFP1 method
Sarom Sok, Soohaeng Y Willow, Federico Zahariev, et al.
Page
of 26