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Journal of Chemical Theory and Computation
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August 15, 2023
EE-ONIOM-CT Method to Efficiently Account for the Missing Interactions in ONIOM: Energies and Analytic Gradients
Vikrant Tripathy, Krishnan Raghavachari
The Journal of Chemical Physics
|
December 21, 2023
Fragment-based models for dissociation of strong acids in water: Electrostatic embedding minimizes the dependence on the fragmentation schemes
Vikrant Tripathy, Krishnan Raghavachari
Journal of Computational Chemistry
|
February 15, 2021
Electrostatically embedded molecules-in-molecules approach and its application to molecular clusters
Vikrant Tripathy, Arjun Saha, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
September 26, 2022
ONIOM Method with Charge Transfer Corrections (ONIOM-CT): Analytic Gradients and Benchmarking
Vikrant Tripathy, Nicholas J Mayhall, Krishnan Raghavachari
The Journal of Physical Chemistry. A
|
September 20, 2024
Accelerated Computer-Aided Screening of Optical Materials: Investigating the Potential of Δ-SCF Methods to Predict Emission Maxima of Large Dye Molecules
Vikrant Tripathy, Amar H Flood, Krishnan Raghavachari
Journal of Chemical Information and Modeling
|
March 6, 2026
QUICK and Robust ESP and RESP Charges for Computational Biochemistry: Open-Source GPU Implementation
Vikrant Tripathy, Etienne Palos, Kenneth M Merz, et al.
Angewandte Chemie (International Ed. in English)
|
April 21, 2022
Photosensitized [2+2]-Cycloadditions of Alkenylboronates and Alkenes
Yanyao Liu, Dongshun Ni, Bernard G Stevenson, et al.
The Journal of Physical Chemistry. A
|
July 10, 2023
Triplet States of Cyanostar and Its Anion Complexes
Fredrik Edhborg, Axel Olesund, Vikrant Tripathy, et al.
Journal of the American Chemical Society
|
October 2, 2025
Bambusuril Small-Molecule Ionic Isolation Lattices for Exciton Coupled Dimers and Dicationic Fluorophores
Andrew H Olsson, Vikrant Tripathy, Nobuyuki Yamamoto, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
August 15, 2023
EE-ONIOM-CT Method to Efficiently Account for the Missing Interactions in ONIOM: Energies and Analytic Gradients
Vikrant Tripathy, Krishnan Raghavachari
The Journal of Chemical Physics
|
December 21, 2023
Fragment-based models for dissociation of strong acids in water: Electrostatic embedding minimizes the dependence on the fragmentation schemes
Vikrant Tripathy, Krishnan Raghavachari
Journal of Computational Chemistry
|
February 15, 2021
Electrostatically embedded molecules-in-molecules approach and its application to molecular clusters
Vikrant Tripathy, Arjun Saha, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
September 26, 2022
ONIOM Method with Charge Transfer Corrections (ONIOM-CT): Analytic Gradients and Benchmarking
Vikrant Tripathy, Nicholas J Mayhall, Krishnan Raghavachari
The Journal of Physical Chemistry. A
|
September 20, 2024
Accelerated Computer-Aided Screening of Optical Materials: Investigating the Potential of Δ-SCF Methods to Predict Emission Maxima of Large Dye Molecules
Vikrant Tripathy, Amar H Flood, Krishnan Raghavachari
Journal of Chemical Information and Modeling
|
March 6, 2026
QUICK and Robust ESP and RESP Charges for Computational Biochemistry: Open-Source GPU Implementation
Vikrant Tripathy, Etienne Palos, Kenneth M Merz, et al.
Angewandte Chemie (International Ed. in English)
|
April 21, 2022
Photosensitized [2+2]-Cycloadditions of Alkenylboronates and Alkenes
Yanyao Liu, Dongshun Ni, Bernard G Stevenson, et al.
The Journal of Physical Chemistry. A
|
July 10, 2023
Triplet States of Cyanostar and Its Anion Complexes
Fredrik Edhborg, Axel Olesund, Vikrant Tripathy, et al.
Journal of the American Chemical Society
|
October 2, 2025
Bambusuril Small-Molecule Ionic Isolation Lattices for Exciton Coupled Dimers and Dicationic Fluorophores
Andrew H Olsson, Vikrant Tripathy, Nobuyuki Yamamoto, et al.
Page
of 1