Publications by authors named "Alexander A Rusakov"

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Uncovering chemical homology of superheavy elements: a close look at astatine.
Yuriy A Demidov, Alexander A Shalaevsky, Alexander V Oleynichenko, Alexander A Rusakov

Phys Chem Chem Phys· September 2024

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Bent naphthodithiophenes: synthesis and characterization of isomeric fluorophores.
Emmanuel B A Adusei, Vincent T Casetti, Calvin D Goldsmith, Madison Caswell, Drecila Alinj, Alexander A Rusakov

RSC Adv· August 2024

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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

J Chem Theory Comput· November 2023

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Comment on "Potential Energy Surface of Group 11 Trimers (Cu, Ag, Au): Bond Angle Isomerism in Au".
Alexander A Rusakov

J Phys Chem A· September 2023

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Investigating the Heaviest Halogen: Lessons Learned from Modeling the Electronic Structure of Astatine's Small Molecules.
Vincent T Casetti, James MacLean, Adam D Ayoub, Rain J Fredericks, Jacob A Adamski, Alexander A Rusakov

J Phys Chem A· January 2023

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Self-Energy Embedding Theory (SEET) for Periodic Systems.
Alexander A Rusakov, Sergei Iskakov, Lan Nguyen Tran, Dominika Zgid

J Chem Theory Comput· January 2019

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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

J Chem Phys· November 2016

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Self-consistent second-order Green's function perturbation theory for periodic systems.
Alexander A Rusakov, Dominika Zgid

J Chem Phys· February 2016

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Local Hamiltonians for quantitative Green's function embedding methods.
Alexander A Rusakov, Jordan J Phillips, Dominika Zgid

J Chem Phys· November 2014

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Space group symmetry applied to SCF calculations with periodic boundary conditions and Gaussian orbitals.
Alexander A Rusakov, Michael J Frisch, Gustavo E Scuseria

J Chem Phys· September 2013

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On calculating a polymer's enthalpy of formation with quantum chemical methods.
Edward N Brothers, Artur F Izmaylov, Alexander A Rusakov, Gustavo E Scuseria

J Phys Chem B· December 2007

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Importance of spin-orbit effects on the isomerism profile of Au3: an ab initio study.
Alexander A Rusakov, Elena Rykova, Gustavo E Scuseria, Andréi Zaitsevskii

J Chem Phys· October 2007

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