Vitaly A. Rassolov

University of South Carolina — United States

Materials Science · Physical Sciences

32h-index18.6kcitations179works0.02yr avg
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Research Topics

Crystallization and Solubility Studies(63), X-ray Diffraction in Crystallography(62), Advanced Chemical Physics Studies(49), Spectroscopy and Quantum Chemical Studies(42), Crystallography and molecular interactions(19)

Publications177 total

Analysis of divergent dynamics of exactly factorised electron-nuclear wavefunctions
The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics·2026
Factorised electron-nuclear dynamics with effective complex potential: on-the-fly implementation for H <sub>2</sub> <sup>+</sup> in a laser field
Molecular Physics·2026
Analysis of divergent dynamics of exactly factorized electron-nuclear wavefunctions
arXiv (Cornell University)·2025Open Access
Factorized electron-nuclear dynamics with effective complex potential: on-the-fly implementation for H$_2^+$ in a laser field
arXiv (Cornell University)·2025Open Access
Variational Dynamics of Multicomponent Wave Functions Represented in a Basis Driven by a Time-Dependent Gaussian Wavepacket
Journal of Chemical Theory and Computation·2025
Stability Trends in disubstituted Cobaltocenium Based on the Analysis of the Machine Learning Models
The Journal of Physical Chemistry A·2023· 1 cited
CCDC 2283039: Experimental Crystal Structure Determination
University of Groningen research database (University of Groningen / Centre for Information Technology)·2023Open Access
Breaking the photoswitch speed limit
Nature Communications·2023· 44 citedOpen Access
Theoretical Examination of the Hydroxide Transport in Cobaltocenium-Containing Polyelectrolytes
The Journal of Physical Chemistry B·2023· 2 citedOpen Access
Factorized Electron–Nuclear Dynamics with an Effective Complex Potential
Journal of Chemical Theory and Computation·2023· 6 cited
Comparison of Born–Oppenheimer approximation and electron-nuclear correlation
Molecular Physics·2022· 3 cited
CCDC 2168043: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 2168039: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 2168044: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 2168041: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 2168038: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 2168042: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 2168045: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 2168040: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
Synthesis and Chemistry of Ammonioethenyl and Phosphonioethenyl Ligands in Zwitterionic Dirhenium Carbonyl Complexes
Inorganic Chemistry·2022· 2 cited
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Frequent Co-authors

Sophya Garashchuk(14), John A. Pople(10), Larry A. Curtiss(7), Paul C. Redfern(7), Mark A. Ratner(6), Mark D. Smith(5), Gary S. Kedziora(4), Daniel M. Chipman(4), Krishnan Raghavachari(3), Daniel L. Reger(3), R.F. Semeniuc(3), Feng Xu(3), George C. Schatz(3), Richard D. Adams(3), Yihan Shao(2), Christian Ochsenfeld(2), Andrew T. B. Gilbert(2), Nicholas A. Besley(2), Troy Van Voorhis(2), Paul E. Maslen(2)