Sijia Dong

Argonne National Laboratory, Lemont, IL, United States 
"Sijia Dong"
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Dong SS, Huang KB, Gagliardi L, et al. (2019) State-Interaction Pair-Density Functional Theory Can Accurately Describe a Spiro Mixed Valence Compound. The Journal of Physical Chemistry. A
Marín MDC, De Vico L, Dong SS, et al. (2019) Assessment of MC-PDFT excitation energies for a set of QM/MM models of rhodopsins. Journal of Chemical Theory and Computation
Shu Y, Dong SS, Parker KA, et al. (2018) Extended Hamiltonian molecular dynamics: semiclassical trajectories with improved maintenance of zero point energy. Physical Chemistry Chemical Physics : Pccp
Bao JJ, Dong SS, Gagliardi L, et al. (2018) Automatic selection of an active space for calculating electronic excitation spectra by MS-CASPT2 or MC-PDFT. Journal of Chemical Theory and Computation
Dong SS, Gagliardi L, Truhlar DG. (2018) Excitation spectra of retinal by multiconfiguration pair-density functional theory. Physical Chemistry Chemical Physics : Pccp
Dong SS, Goddard WA, Abrol R. (2017) Identifying multiple active conformations in the G protein-coupled receptor activation landscape using computational methods. Methods in Cell Biology. 142: 173-186
Dong SS, Goddard WA, Abrol R. (2016) Conformational and Thermodynamic Landscape of GPCR Activation from Theory and Computation. Biophysical Journal. 110: 2618-2629
Teo RD, Dong SS, Gross Z, et al. (2015) Computational predictions of corroles as a class of Hsp90 inhibitors. Molecular Biosystems
Dong SS, Abrol R, Goddard WA. (2015) The predicted ensemble of low-energy conformations of human somatostatin receptor subtype 5 and the binding of antagonists. Chemmedchem. 10: 650-61
Liu XY, Guo Z, Dong SS, et al. (2011) Highly efficient and diastereoselective gold(I)-catalyzed synthesis of tertiary amines from secondary amines and alkynes: substrate scope and mechanistic insights. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 12932-45
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