Follow
Shu Yinan (舒逸楠)
Title
Cited by
Cited by
Year
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
1192023
Simulated evolution of fluorophores for light emitting diodes
Y Shu, BG Levine
The Journal of chemical physics 142 (10), 2015
922015
Defect-induced conical intersections promote nonradiative recombination
Y Shu, BS Fales, BG Levine
Nano letters 15 (9), 6247-6253, 2015
662015
Configuration interaction singles natural orbitals: An orbital basis for an efficient and size intensive multireference description of electronic excited states
Y Shu, EG Hohenstein, BG Levine
The Journal of chemical physics 142 (2), 2015
612015
Diabatic states of molecules
Y Shu, Z Varga, S Kanchanakungwankul, L Zhang, DG Truhlar
The Journal of Physical Chemistry A 126 (7), 992-1018, 2022
592022
CAS without SCF—Why to use CASCI and where to get the orbitals
BG Levine, AS Durden, MP Esch, F Liang, Y Shu
The Journal of Chemical Physics 154 (9), 2021
522021
Diabatization by machine intelligence
Y Shu, DG Truhlar
Journal of Chemical Theory and Computation 16 (10), 6456-6464, 2020
422020
Doubly Excited Character or Static Correlation of the Reference State in the Controversial 21Ag State of trans-Butadiene?
Y Shu, DG Truhlar
Journal of the American Chemical Society 139 (39), 13770-13778, 2017
412017
Nonadiabatic dynamics algorithms with only potential energies and gradients: Curvature-driven coherent switching with decay of mixing and curvature-driven trajectory surface …
Y Shu, L Zhang, X Chen, S Sun, Y Huang, DG Truhlar
Journal of Chemical Theory and Computation 18 (3), 1320-1328, 2022
392022
Conical Intersections at the Nanoscale: Molecular Ideas for Materials
BG Levine, MP Esch, BS Fales, DT Hardwick, WT Peng, Y Shu
Annual Reviews of Physical Chemistry 70, 2019
392019
Polyatomic molecules under intense femtosecond laser irradiation
A Konar, Y Shu, VV Lozovoy, JE Jackson, BG Levine, M Dantus
The Journal of Physical Chemistry A 118 (49), 11433-11450, 2014
382014
Dual-Functional Tamm–Dancoff Approximation: A Convenient Density Functional Method that Correctly Describes S1/S0 Conical Intersections
Y Shu, KA Parker, DG Truhlar
The Journal of Physical Chemistry Letters, 2017
372017
Do excited silicon–oxygen double bonds emit light?
Y Shu, BG Levine
The Journal of Physical Chemistry C 118 (14), 7669-7677, 2014
352014
Understanding nonradiative recombination through defect-induced conical intersections
Y Shu, BS Fales, WT Peng, BG Levine
The Journal of Physical Chemistry Letters 8 (17), 4091-4099, 2017
342017
Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors
BS Fales, Y Shu, BG Levine, EG Hohenstein
The Journal of chemical physics 147 (9), 2017
332017
Surface structure and silicon nanocrystal photoluminescence: the role of hypervalent silyl groups
Y Shu, UR Kortshagen, BG Levine, RJ Anthony
The Journal of Physical Chemistry C 119 (47), 26683-26691, 2015
322015
Decoherence and its role in electronically nonadiabatic dynamics
Y Shu, DG Truhlar
Journal of Chemical Theory and Computation 19 (2), 380-395, 2023
302023
Dynamics of recombination via conical intersection in a semiconductor nanocrystal
WT Peng, BS Fales, Y Shu, BG Levine
Chemical Science 9 (3), 681-687, 2018
302018
Communication: Non-radiative recombination via conical intersection at a semiconductor defect
Y Shu, BG Levine
The Journal of Chemical Physics 139 (8), 2013
302013
Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen
Y Shu, J Kryven, AG Sampaio de Oliveira-Filho, L Zhang, GL Song, SL Li, ...
The Journal of Chemical Physics 151 (10), 2019
292019
The system can't perform the operation now. Try again later.
Articles 1–20