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The Journal of Physical Chemistry. A|August 1, 2019
An Accurate Quantum-Based Approach to Explicit Solvent Effects: Interfacing the General Effective Fragment Potential Method with Ab Initio Electronic Structure TheoryTosaporn Sattasathuchana, Peng Xu, Mark S GordonJournal of Chemical Theory and Computation|April 14, 2017
An Efficient Analytic Approach for Calculation of Multi-Dimensional Franck-Condon Factors and Associated Photoelectron SpectraTosaporn Sattasathuchana, Riccardo Murri, Kim K BaldridgeJournal of Chemical Theory and Computation|June 27, 2020
Generalized Analytic Approach for Determination of Multidimensional Franck-Condon Factors: Simulated Photoelectron Spectra of Polynuclear Aromatic HydrocarbonsTosaporn Sattasathuchana, Jay S Siegel, Kim K BaldridgeChemical Communications (Cambridge, England)|December 3, 2016
Synthesis and full characterization of an iridium B-H activation intermediate of the monocarba-closo-dodecaborate anionYunjun Shen, Yani Pan, Jiyong Liu, et al.Journal of the American Chemical Society|November 5, 2016
On the Origins of Nonradiative Excited State Relaxation in Aryl Sulfoxides Relevant to Fluorescent ChemosensingRahul S Kathayat, Lijun Yang, Tosaporn Sattasathuchana, et al.Journal of Chemical Theory and Computation|March 7, 2024
The Effective Fragment Molecular Orbital Method: Achieving High Scalability and Accuracy for Large SystemsTosaporn Sattasathuchana, Peng Xu, Colleen Bertoni, et al.The Journal of Chemical Physics|March 16, 2021
Computation of host-guest binding free energies with a new quantum mechanics based mining minima algorithmPeng Xu, Tosaporn Sattasathuchana, Emilie Guidez, et al.Angewandte Chemie (International Ed. in English)|November 5, 2025
One Collision - Two Heteroatoms: Gas-Phase Preparation of AzasilabenzenesSurajit Metya, Iakov A Medvedkov, Shane J Goettl, et al.Journal of Chemical Theory and Computation|April 9, 2025
Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima AlgorithmMegan Schlinsog, Tosaporn Sattasathuchana, Peng Xu, et al.The Journal of Chemical Physics|April 28, 2023
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation methodBuu Q Pham, Laura Carrington, Ananta Tiwari, et al.Pageof 2