Selected Publications

Stability Trends in disubstituted Cobaltocenium Based on the Analysis of the Machine Learning Models 
Wetthasinghe, ST; Garashchuk, SV ; Rassolov, VA 
JOURNAL OF PHYSICAL CHEMISTRY A  Volume: 127  Issue: 50  Pages: 10701-10708
2023 NOV 28   
DOI: 10.1021/acs.jpca.3c05668   
 
Factorized Electron-Nuclear Dynamics with an Effective Complex Potential 
Garashchuk, S; Stetzler, J; Rassolov, V 
JOURNAL OF CHEMICAL THEORY AND COMPUTATION  Volume: 19  Issue: 5  Pages: 1393-1408
2023 MAR 14  
DOI: 10.1021/acs.jctc.2c01019 
 
Local Measure of Quantum Effects in Quantum Dynamics 
Rassolov, V; Garashchuk, S 
JOURNAL OF PHYSICAL CHEMISTRY A  Volume: 125  Issue: 21  Pages: 4653-4667 
2021 JUN 3 
DOI: 10.1021/acs.jpca.1c02533   
 
OH Radical as a Probe of the Spin Polarizability in 1-and 2-Naphthol 
Albarran, G; Rassolov, VA; Schuler, RH 
JOURNAL OF PHYSICAL CHEMISTRY A  Volume: 122  Issue: 16  Pages: 4015-4022   
2018 APR 26 
DOI: 10.1021/acs.jpca.7611718   
 
Binuclear Aromatic C-H Bond Activation at a Dirhenium Site 
Adams, RD; Rassolov, V; Wong, YO 
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION  Volume: 55  Issue: 4  Pages: 1324-1327   
2016 JAN 22   
DOI: 10.1002/anie.201508540 
 
SSpG: A strongly orthogonal geminal method with relaxed strong orthogonality 
Cagg, BA; Rassolov, VA 
JOURNAL OF CHEMICAL PHYSICS  Volume: 141  Issue: 16  Article Number: 164112
2014 OCT 28  
DOI: 10.1063/1.4899257  
 
Computational complexity in quantum chemistry 
Rassolov, VA; Garashchuk, S 
CHEMICAL PHYSICS LETTERS  Volume: 464  Issue: 4-6  Pages: 262-264 
2008 OCT 23   
DOI: 10.1016/j.cplett.2008.09.026 
 
A geminal model chemistry 
Rassolov, VA 
JOURNAL OF CHEMICAL PHYSICS  Volume: 117  Issue: 13  Pages: 5978-5987  
2002 OCT 1 
DOI: 10.1063/1.1503773 
 
Extension of gaussian-3 theory to molecules containing third-row atoms K, Ca, Ga-Kr 
Curtiss, LA; Redfern, PC; Rassolov, V; Kedziora, G; Pople, JA 
JOURNAL OF CHEMICAL PHYSICS  Volume: 114  Issue: 21  Pages: 9287-9295   
2001 JUN 1 
DOI: 10.1063/1.1366337 
 
An ab initio linear electron correlation functional 
Rassolov, VA 
JOURNAL OF CHEMICAL PHYSICS  Volume: 110  Issue: 8  Pages: 3672-3677 
1999 FEB 22 
DOI: 10.1063/1.478795 
 
New operators for electronic density calculation .1. Derivations and formal analysis 
Rassolov, VA; Chipman, DM 
JOURNAL OF CHEMICAL PHYSICS  Volume: 105  Issue: 4  Pages: 1470-1478 
1996 JUL 22 
DOI: 10.1063/1.472009 
 
 
ORCID provides the complete list of Professor Rassolov publications
 
 

Journal Covers

Correlation between the Stability of Substituted Cobaltocenium and Molecular Descriptors 
Shehani T. Wetthasinghe, Chunyan Li, Huina Lin, Tianyu Zhu, Chuanbing Tang, Vitaly Rassolov, Qi Wang, and Sophya Garashchuk 
The Journal of Physical Chemistry A 2022 126 (1), 80-87  
DOI: 10.1021/acs.jpca.1c10603