Sophya V Garashchuk (Sophya Garashchuk)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 19

Top Venues

The journal of physical chemistry. A

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. B

University of South Carolina

University of Notre Dame (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of South Carolina

United States

associate professor :: Chemistry and Biochemistry

Education History

University of Notre Dame

United States

PHD :: Chemical Physics

Moscow Institute of Physics and Technology

Russia

MSC :: Physics and Quantum Electronics

Publications

Sophya V Garashchuk, Frank Großmann
Assessing the Accuracy of Quantum Dynamics Performed in the Time-Dependent Basis Representation. The journal of physical chemistry. A (2024)
Sophya V Garashchuk, Julian Stetzler, Vitaly A Rassolov
Factorized Electron-Nuclear Dynamics with an Effective Complex Potential. Journal of chemical theory and computation (2023)
Sachith Wickramasinghe, Alexandria Hoehn, Shehani T Wetthasinghe, Huina Lin, Qi Wang, Jacek Jakowski, Vitaly A Rassolov, Chuanbing Tang, Sophya V Garashchuk
Theoretical Examination of the Hydroxide Transport in Cobaltocenium-Containing Polyelectrolytes. The journal of physical chemistry. B (2023)
Shehani T Wetthasinghe, Sophya V Garashchuk, Vitaly A Rassolov
Stability Trends in disubstituted Cobaltocenium Based on the Analysis of the Machine Learning Models. The journal of physical chemistry. A (2023)
Sophya V Garashchuk, Julian Stetzler, Vitaly A Rassolov
Factorized Electron-Nuclear Dynamics with an Effective Complex Potential. Journal of chemical theory and computation 19 (5) (2023)
Shehani T Wetthasinghe, Chunyan Li, Huina Lin, Tianyu Zhu, Chuanbing Tang, Vitaly A Rassolov, Qi Wang, Sophya V Garashchuk
Correlation between the Stability of Substituted Cobaltocenium and Molecular Descriptors. The journal of physical chemistry. A 126 (1) (2022)
Matthew Dutra, Shannon McElhenney, Olivia Manley, Thomas M Makris, Vitaly A Rassolov, Sophya V Garashchuk
Modeling the Ligand Effect on the Structure of CYP 450 Within the Density Functional Theory. The journal of physical chemistry. A 126 (18) (2022)
Matthew Dutra, Jose A Amaya, Shannon McElhenney, Olivia M Manley, Thomas M Makris, Vitaly A Rassolov, Sophya V Garashchuk
Experimental and Theoretical Examination of the Kinetic Isotope Effect in Cytochrome P450 Decarboxylase OleT. The journal of physical chemistry. B 126 (19) (2022)
Muhammad Saddam Hossain, Fiaz Ahmed, Stavros G Karakalos, Mark D Smith, Namrata Pant, Sophya V Garashchuk, Andrew B Greytak, Pablo Docampo, Linda S Shimizu
Structure-property investigations in urea tethered iodinated triphenylamines. Physical chemistry chemical physics : PCCP 24 (31) (2022)
Chunyan Li, Shehani T Wetthasinghe, Huina Lin, Tianyu Zhu, Chuanbing Tang, Vitaly A Rassolov, Qi Wang, Sophya V Garashchuk
Stability Analysis of Substituted Cobaltocenium [Bis(cyclopentadienyl)cobalt(III)] Employing Chemistry-Informed Neural Networks. Journal of chemical theory and computation 18 (5) (2022)
Dustin W Goodlett, Ammon J Sindt, Muhammad Saddam Hossain, Rajkumar Merugu, Mark D Smith, Sophya V Garashchuk, Anna D Gudmundsdottir, Linda S Shimizu
From Incident Light to Persistent and Regenerable Radicals of Urea-Assembled Benzophenone Frameworks: A Structural Investigation. The journal of physical chemistry. A 125 (6) (2021)
Vitaly A Rassolov, Sophya V Garashchuk
Local Measure of Quantum Effects in Quantum Dynamics. The journal of physical chemistry. A 125 (21) (2021)
Md Faizul Islam, Ammon J Sindt, Muhammad Saddam Hossain, Pooja J Ayare, Mark D Smith, Aaron A Vannucci, Sophya V Garashchuk, Linda S Shimizu
Assembled triphenylamine bis-urea macrocycles: exploring photodriven electron transfer from host to guests. Physical chemistry chemical physics : PCCP 23 (41) (2021)
Matthew Dutra, Sachith Wickramasinghe, Sophya V Garashchuk
Multidimensional Tunneling Dynamics Employing Quantum-Trajectory Guided Adaptable Gaussian Bases. The journal of physical chemistry. A 124 (44) (2020)
Gabrielle A Leith, Allison M Rice, Brandon J Yarbrough, Anna A Berseneva, Richard T Ly, Charles N Buck, Denis Chusov, Amy J Brandt, Donna A Chen, Benjamin W Lamm, Morgan Stefik, Kenneth S Stephenson, Mark D Smith, Aaron A Vannucci, Perry J Pellechia, Sophya V Garashchuk, Natalia B Shustova
A Dual Threat: Redox-Activity and Electronic Structures of Well-Defined Donor-Acceptor Fulleretic Covalent-Organic Materials. Angewandte Chemie (International ed. in English) 59 (15) (2020)
Ekaterina A Dolgopolova, Anna A Berseneva, Martín S Faillace, Otega A Ejegbavwo, Gabrielle A Leith, Seok W Choi, Haley N Gregory, Allison M Rice, Mark D Smith, Maksymilian Chruszcz, Sophya V Garashchuk, Karthikeyan Mythreye, Natalia B Shustova
Confinement-Driven Photophysics in Cages, Covalent-Organic Frameworks, Metal-Organic Frameworks, and DNA. Journal of the American Chemical Society 142 (10) (2020)
Otega A Ejegbavwo, Anna A Berseneva, Corey R Martin, Gabrielle A Leith, Shubham Pandey, Amy J Brandt, Kyoung Chul Park, Abhijai Mathur, Sharfa Farzandh, Vladislav V Klepov, Brittany J Heiser, Mvs Chandrashekhar, Stavros G Karakalos, Mark D Smith, Simon R Phillpot, Sophya V Garashchuk, Donna A Chen, Natalia B Shustova
Heterometallic multinuclear nodes directing MOF electronic behavior. Chemical science 11 (28) (2020)
Sophya V Garashchuk, Vitaly A Rassolov
Quantum Trajectory Dynamics Based on Local Approximations to the Quantum Potential and Force. Journal of chemical theory and computation 15 (7) (2019)
Matthew Dutra, Sachith Wickramasinghe, Sophya V Garashchuk
Quantum Dynamics with the Quantum Trajectory-Guided Adaptable Gaussian Bases. Journal of chemical theory and computation 16 (1) (2019)

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Publication Activity (10 Years)

Top Topics

Top Venues

Sophya V Garashchuk (Sophya Garashchuk)