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The Journal of Physical Chemistry. A
|
March 18, 2010
Catalytic role for water in the atmospheric production of ClNO
Bosiljka Njegic, Jonathan D Raff, Barbara J Finlayson-Pitts, et al.
The Journal of Chemical Physics
|
May 15, 2023
High-performance strategies for the recent MRSF-TDDFT in GAMESS
Konstantin Komarov, Vladimir Mironov, Seunghoon Lee, et al.
Journal of Chemical Theory and Computation
|
November 28, 2015
Uncontracted Rys Quadrature Implementation of up to G Functions on Graphical Processing Units
Andrey Asadchev, Veerendra Allada, Jacob Felder, et al.
Journal of Chemical Theory and Computation
|
June 10, 2016
Spin-Free [2]R12 Basis Set Incompleteness Correction to the Local Multireference Configuration Interaction and the Local Multireference Average Coupled Pair Functional Methods
Luke B Roskop, Edward F Valeev, Emily A Carter, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Infrared spectra and ab initio calculations for the Cl--(CH4)n (n = 1-10) anion clusters
Zoë M Loh, Rosemary L Wilson, Duncan A Wild, et al.
The Journal of Physical Chemistry. A
|
September 20, 2014
Efficient molecular dynamics simulations of multiple radical center systems based on the fragment molecular orbital method
Hiroya Nakata, Michael W Schmidt, Dmitri G Fedorov, et al.
The Journal of Chemical Physics
|
September 22, 2022
Electronic states and transitions of PrO and PrO<sup>+</sup> probed by threshold ionization spectroscopy and spin-orbit multiconfiguration perturbation theory
Yuchen Zhang, Taiji Nakamura, Lu Wu, et al.
The Journal of Physical Chemistry. B
|
December 1, 2011
Structure and dynamics of the 1-hydroxyethyl-4-amino-1,2,4-triazolium nitrate high-energy ionic liquid system
Philip J Carlson, Sayantan Bose, Daniel W Armstrong, et al.
The Journal of Physical Chemistry. A
|
April 14, 2017
Relativistic ab Initio Accurate Atomic Minimal Basis Sets: Quantitative LUMOs and Oriented Quasi-Atomic Orbitals for the Elements Li-Xe
George Schoendorff, Aaron C West, Michael W Schmidt, et al.
The Journal of Chemical Physics
|
June 14, 2013
Evaluation of coarse-grained mapping schemes for polysaccharide chains in cellulose
Sergiy Markutsya, Ajitha Devarajan, John Y Baluyut, et al.
Page
of 26
Search research articles
Search
Showing results (211-220 of 258) with videos related to
Sort By:
Page
of 26
The Journal of Physical Chemistry. A
|
March 18, 2010
Catalytic role for water in the atmospheric production of ClNO
Bosiljka Njegic, Jonathan D Raff, Barbara J Finlayson-Pitts, et al.
The Journal of Chemical Physics
|
May 15, 2023
High-performance strategies for the recent MRSF-TDDFT in GAMESS
Konstantin Komarov, Vladimir Mironov, Seunghoon Lee, et al.
Journal of Chemical Theory and Computation
|
November 28, 2015
Uncontracted Rys Quadrature Implementation of up to G Functions on Graphical Processing Units
Andrey Asadchev, Veerendra Allada, Jacob Felder, et al.
Journal of Chemical Theory and Computation
|
June 10, 2016
Spin-Free [2]R12 Basis Set Incompleteness Correction to the Local Multireference Configuration Interaction and the Local Multireference Average Coupled Pair Functional Methods
Luke B Roskop, Edward F Valeev, Emily A Carter, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Infrared spectra and ab initio calculations for the Cl--(CH4)n (n = 1-10) anion clusters
Zoë M Loh, Rosemary L Wilson, Duncan A Wild, et al.
The Journal of Physical Chemistry. A
|
September 20, 2014
Efficient molecular dynamics simulations of multiple radical center systems based on the fragment molecular orbital method
Hiroya Nakata, Michael W Schmidt, Dmitri G Fedorov, et al.
The Journal of Chemical Physics
|
September 22, 2022
Electronic states and transitions of PrO and PrO<sup>+</sup> probed by threshold ionization spectroscopy and spin-orbit multiconfiguration perturbation theory
Yuchen Zhang, Taiji Nakamura, Lu Wu, et al.
The Journal of Physical Chemistry. B
|
December 1, 2011
Structure and dynamics of the 1-hydroxyethyl-4-amino-1,2,4-triazolium nitrate high-energy ionic liquid system
Philip J Carlson, Sayantan Bose, Daniel W Armstrong, et al.
The Journal of Physical Chemistry. A
|
April 14, 2017
Relativistic ab Initio Accurate Atomic Minimal Basis Sets: Quantitative LUMOs and Oriented Quasi-Atomic Orbitals for the Elements Li-Xe
George Schoendorff, Aaron C West, Michael W Schmidt, et al.
The Journal of Chemical Physics
|
June 14, 2013
Evaluation of coarse-grained mapping schemes for polysaccharide chains in cellulose
Sergiy Markutsya, Ajitha Devarajan, John Y Baluyut, et al.
Page
of 26