| OpenMolcas: From source code to insight I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 15 (11), 5925-5964, 2019 | 721 | 2019 |
| Automatic selection of an active space for calculating electronic excitation spectra by MS-CASPT2 or MC-PDFT JJ Bao, SS Dong, L Gagliardi, DG Truhlar Journal of Chemical Theory and Computation 14 (4), 2017-2025, 2018 | 62 | 2018 |
| The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ... Journal of Chemical Theory and Computation 19 (20), 6933-6991, 2023 | 53 | 2023 |
| Highly Efficient and Diastereoselective Gold(I)‐Catalyzed Synthesis of Tertiary Amines from Secondary Amines and Alkynes: Substrate Scope and Mechanistic Insights XY Liu, Z Guo, SS Dong, XH Li, CM Che Chemistry–A European Journal 17 (46), 12932-12945, 2011 | 44 | 2011 |
| Electronic structures of group 9 metallocorroles with axial ammines SS Dong, RJ Nielsen, JH Palmer, HB Gray, Z Gross, S Dasgupta, ... Inorganic chemistry 50 (3), 764-770, 2011 | 22 | 2011 |
| Machine learning dielectric screening for the simulation of excited state properties of molecules and materials SS Dong, M Govoni, G Galli Chemical Science 12 (13), 4970-4980, 2021 | 18 | 2021 |
| Nature of the 11Bu and 21Ag Excited States of Butadiene and the Goldilocks Principle of Basis Set Diffuseness SS Dong, L Gagliardi, DG Truhlar Journal of Chemical Theory and Computation 15 (8), 4591-4601, 2019 | 17 | 2019 |
| Conformational and thermodynamic landscape of GPCR activation from theory and computation SS Dong, WA Goddard, R Abrol Biophysical journal 110 (12), 2618-2629, 2016 | 17 | 2016 |
| Assessment of MC-PDFT excitation energies for a set of QM/MM models of rhodopsins MC Marin, L De Vico, SS Dong, L Gagliardi, DG Truhlar, M Olivucci Journal of chemical theory and computation 15 (3), 1915-1923, 2019 | 16 | 2019 |
| Targeting oncogenic KRAS with molecular brush-conjugated antisense oligonucleotides D Wang, Q Wang, Y Wang, P Chen, X Lu, F Jia, Y Sun, T Sun, L Zhang, ... Proceedings of the National Academy of Sciences 119 (29), e2113180119, 2022 | 15 | 2022 |
| State-interaction pair-density functional theory can accurately describe a spiro mixed valence compound SS Dong, KB Huang, L Gagliardi, DG Truhlar The Journal of Physical Chemistry A 123 (10), 2100-2106, 2019 | 14 | 2019 |
| Excitation spectra of retinal by multiconfiguration pair-density functional theory SS Dong, L Gagliardi, DG Truhlar Physical Chemistry Chemical Physics 20 (10), 7265-7276, 2018 | 14 | 2018 |
| Computational predictions of corroles as a class of Hsp90 inhibitors RD Teo, SS Dong, Z Gross, HB Gray, WA Goddard Molecular BioSystems 11 (11), 2907-2914, 2015 | 11 | 2015 |
| The Predicted Ensemble of Low‐Energy Conformations of Human Somatostatin Receptor Subtype 5 and the Binding of Antagonists SS Dong, R Abrol, WA Goddard III ChemMedChem 10 (4), 650-661, 2015 | 9 | 2015 |
| Automated active space selection with dipole moments BW Kaufold, N Chintala, P Pandeya, SS Dong Journal of Chemical Theory and Computation 19 (9), 2469-2483, 2023 | 6 | 2023 |
| A Long‐Circulating Vector for Aptamers Based upon Polyphosphodiester‐Backboned Molecular Brushes Y Wang, D Wang, J Lin, Z Lyu, P Chen, T Sun, C Xue, M Mojtabavi, ... Angewandte Chemie 134 (41), e202204576, 2022 | 6 | 2022 |
| Extended Hamiltonian molecular dynamics: semiclassical trajectories with improved maintenance of zero point energy Y Shu, SS Dong, KA Parker, JL Bao, L Zhang, DG Truhlar Physical Chemistry Chemical Physics 20 (48), 30209-30218, 2018 | 6 | 2018 |
| Identifying multiple active conformations in the G protein-coupled receptor activation landscape using computational methods SS Dong, WA Goddard III, R Abrol Methods in Cell Biology 142, 173-186, 2017 | 6 | 2017 |
| A mechanistic study on the cellular uptake, intracellular trafficking, and antisense gene regulation of bottlebrush polymer-conjugated oligonucleotides L Zhang, Y Wang, P Chen, D Wang, T Sun, Z Zhang, R Wang, X Kang, ... RSC Chemical Biology 4 (2), 138-145, 2023 | 4 | 2023 |
| Mechanism of halide exchange in reactions of CpRu (PPh 3) 2 Cl with haloalkanes BS Rich, NB Bissonnette, AD Balsa, M Yang, H Meikle, N Chintala, ... New Journal of Chemistry 46 (14), 6603-6608, 2022 | 1 | 2022 |
Donald TruhlarUniversity of MinnesotaVerified email at umn.edu
