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The Journal of Chemical Physics
|
February 8, 2016
Self-consistent second-order Green's function perturbation theory for periodic systems
Alexander A Rusakov, Dominika Zgid
The Journal of Chemical Physics
|
November 24, 2014
Local Hamiltonians for quantitative Green's function embedding methods
Alexander A Rusakov, Jordan J Phillips, Dominika Zgid
The Journal of Chemical Physics
|
December 3, 2016
Exploring connections between statistical mechanics and Green's functions for realistic systems: Temperature dependent electronic entropy and internal energy from a self-consistent second-order Green's function
Alicia Rae Welden, Alexander A Rusakov, Dominika Zgid
The Journal of Chemical Physics
|
September 28, 2013
Space group symmetry applied to SCF calculations with periodic boundary conditions and Gaussian orbitals
Alexander A Rusakov, Michael J Frisch, Gustavo E Scuseria
Journal of Chemical Theory and Computation
|
December 13, 2018
Self-Energy Embedding Theory (SEET) for Periodic Systems
Alexander A Rusakov, Sergei Iskakov, Lan Nguyen Tran, et al.
Journal of Chemical Theory and Computation
|
November 28, 2023
Novel Computational Chemistry Infrastructure for Simulating Astatide in Water: From Basis Sets to Force Fields Using Particle Swarm Optimization
Kennet J Rueda Espinosa, Alexei A Kananenka, Alexander A Rusakov
The Journal of Chemical Physics
|
November 6, 2007
Importance of spin-orbit effects on the isomerism profile of Au3: an ab initio study
Alexander A Rusakov, Elena Rykova, Gustavo E Scuseria, et al.
The Journal of Physical Chemistry. B
|
November 23, 2007
On calculating a polymer's enthalpy of formation with quantum chemical methods
Edward N Brothers, Artur F Izmaylov, Alexander A Rusakov, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 4, 2024
Uncovering chemical homology of superheavy elements: a close look at astatine
Yuriy A Demidov, Alexander A Shalaevsky, Alexander V Oleynichenko, et al.
The Journal of Physical Chemistry. A
|
December 20, 2022
Investigating the Heaviest Halogen: Lessons Learned from Modeling the Electronic Structure of Astatine's Small Molecules
Vincent T Casetti, James MacLean, Adam D Ayoub, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
February 8, 2016
Self-consistent second-order Green's function perturbation theory for periodic systems
Alexander A Rusakov, Dominika Zgid
The Journal of Chemical Physics
|
November 24, 2014
Local Hamiltonians for quantitative Green's function embedding methods
Alexander A Rusakov, Jordan J Phillips, Dominika Zgid
The Journal of Chemical Physics
|
December 3, 2016
Exploring connections between statistical mechanics and Green's functions for realistic systems: Temperature dependent electronic entropy and internal energy from a self-consistent second-order Green's function
Alicia Rae Welden, Alexander A Rusakov, Dominika Zgid
The Journal of Chemical Physics
|
September 28, 2013
Space group symmetry applied to SCF calculations with periodic boundary conditions and Gaussian orbitals
Alexander A Rusakov, Michael J Frisch, Gustavo E Scuseria
Journal of Chemical Theory and Computation
|
December 13, 2018
Self-Energy Embedding Theory (SEET) for Periodic Systems
Alexander A Rusakov, Sergei Iskakov, Lan Nguyen Tran, et al.
Journal of Chemical Theory and Computation
|
November 28, 2023
Novel Computational Chemistry Infrastructure for Simulating Astatide in Water: From Basis Sets to Force Fields Using Particle Swarm Optimization
Kennet J Rueda Espinosa, Alexei A Kananenka, Alexander A Rusakov
The Journal of Chemical Physics
|
November 6, 2007
Importance of spin-orbit effects on the isomerism profile of Au3: an ab initio study
Alexander A Rusakov, Elena Rykova, Gustavo E Scuseria, et al.
The Journal of Physical Chemistry. B
|
November 23, 2007
On calculating a polymer's enthalpy of formation with quantum chemical methods
Edward N Brothers, Artur F Izmaylov, Alexander A Rusakov, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 4, 2024
Uncovering chemical homology of superheavy elements: a close look at astatine
Yuriy A Demidov, Alexander A Shalaevsky, Alexander V Oleynichenko, et al.
The Journal of Physical Chemistry. A
|
December 20, 2022
Investigating the Heaviest Halogen: Lessons Learned from Modeling the Electronic Structure of Astatine's Small Molecules
Vincent T Casetti, James MacLean, Adam D Ayoub, et al.
Page
of 2