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Journal of Chemical Theory and Computation
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November 19, 2015
Complex Chemical Reaction Networks from Heuristics-Aided Quantum Chemistry
Dmitrij Rappoport, Cooper J Galvin, Dmitry Yu Zubarev, et al.
The Journal of Chemical Physics
|
January 22, 2024
Natural determinant reference functional theory
Jason M Yu, Jeffrey Tsai, Ahmadreza Rajabi, et al.
The Journal of Physical Chemistry Letters
|
June 22, 2023
Constructing the Mechanism of Dinoflagellate Luciferin Bioluminescence Using Computation
Gabriel S Phun, Dmitrij Rappoport, Filipp Furche, et al.
ACS Nano
|
June 20, 2018
Excitonics: A Set of Gates for Molecular Exciton Processing and Signaling
Nicolas P D Sawaya, Dmitrij Rappoport, Daniel P Tabor, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 16, 2009
On the chemical bonding effects in the Raman response: benzenethiol adsorbed on silver clusters
Semion K Saikin, Roberto Olivares-Amaya, Dmitrij Rappoport, et al.
The Journal of Physical Chemistry. A
|
September 19, 2014
State-by-state investigation of destructive interference in resonance Raman spectra of neutral tyrosine and the tyrosinate anion with the simplified sum-over-states approach
Jerry B Cabalo, Semion K Saikin, Erik D Emmons, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 17, 2004
Synthesis and stereochemical properties of chiral square complexes of iron(II)
Thomas Bark, Alexander von Zelewsky, Dmitrij Rappoport, et al.
The Journal of Chemical Physics
|
January 21, 2012
Electronic structure calculations in arbitrary electrostatic environments
Mark A Watson, Dmitrij Rappoport, Elizabeth M Y Lee, et al.
Angewandte Chemie (International Ed. in English)
|
April 17, 2019
Charge Transport through Self-Assembled Monolayers of Monoterpenoids
Brian J Cafferty, Li Yuan, Mostafa Baghbanzadeh, et al.
Journal of Computational Chemistry
|
January 13, 2023
Libkrylov: A modular open-source software library for extremely large on-the-fly matrix computations
Dmitrij Rappoport, Samuel Bekoe, Luke Nambi Mohanam, et al.
Page
of 5
Search research articles
Search
Showing results (21-30 of 44) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
November 19, 2015
Complex Chemical Reaction Networks from Heuristics-Aided Quantum Chemistry
Dmitrij Rappoport, Cooper J Galvin, Dmitry Yu Zubarev, et al.
The Journal of Chemical Physics
|
January 22, 2024
Natural determinant reference functional theory
Jason M Yu, Jeffrey Tsai, Ahmadreza Rajabi, et al.
The Journal of Physical Chemistry Letters
|
June 22, 2023
Constructing the Mechanism of Dinoflagellate Luciferin Bioluminescence Using Computation
Gabriel S Phun, Dmitrij Rappoport, Filipp Furche, et al.
ACS Nano
|
June 20, 2018
Excitonics: A Set of Gates for Molecular Exciton Processing and Signaling
Nicolas P D Sawaya, Dmitrij Rappoport, Daniel P Tabor, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 16, 2009
On the chemical bonding effects in the Raman response: benzenethiol adsorbed on silver clusters
Semion K Saikin, Roberto Olivares-Amaya, Dmitrij Rappoport, et al.
The Journal of Physical Chemistry. A
|
September 19, 2014
State-by-state investigation of destructive interference in resonance Raman spectra of neutral tyrosine and the tyrosinate anion with the simplified sum-over-states approach
Jerry B Cabalo, Semion K Saikin, Erik D Emmons, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 17, 2004
Synthesis and stereochemical properties of chiral square complexes of iron(II)
Thomas Bark, Alexander von Zelewsky, Dmitrij Rappoport, et al.
The Journal of Chemical Physics
|
January 21, 2012
Electronic structure calculations in arbitrary electrostatic environments
Mark A Watson, Dmitrij Rappoport, Elizabeth M Y Lee, et al.
Angewandte Chemie (International Ed. in English)
|
April 17, 2019
Charge Transport through Self-Assembled Monolayers of Monoterpenoids
Brian J Cafferty, Li Yuan, Mostafa Baghbanzadeh, et al.
Journal of Computational Chemistry
|
January 13, 2023
Libkrylov: A modular open-source software library for extremely large on-the-fly matrix computations
Dmitrij Rappoport, Samuel Bekoe, Luke Nambi Mohanam, et al.
Page
of 5