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Shuming Bai
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Evaluation of spin-orbit couplings with linear-response time-dependent density functional methods
X Gao, S Bai, D Fazzi, T Niehaus, M Barbatti, W Thiel
Journal of chemical theory and computation 13 (2), 515-524, 2017
2842017
Reduced quantum dynamics with arbitrary bath spectral densities: Hierarchical equations of motion based on several different bath decomposition schemes
H Liu, L Zhu, S Bai, Q Shi
The Journal of chemical physics 140 (13), 2014
1442014
Near-infrared lasing from small-molecule organic hemispheres
X Wang, Q Liao, H Li, S Bai, Y Wu, X Lu, H Hu, Q Shi, H Fu
Journal of the American Chemical Society 137 (29), 9289-9295, 2015
1332015
Self-assembled microdisk lasers of perylenediimides
Z Yu, Y Wu, Q Liao, H Zhang, S Bai, H Li, Z Xu, C Sun, X Wang, J Yao, ...
Journal of the American Chemical Society 137 (48), 15105-15111, 2015
882015
Experimental and Theoretical Study of the Reactions between Cerium Oxide Cluster Anions and Carbon Monoxide: Size-Dependent Reactivity of Ce n O2 n+ 1–(n= 1–21)
XN Wu, XL Ding, SM Bai, B Xu, SG He, Q Shi
The Journal of Physical Chemistry C 115 (27), 13329-13337, 2011
822011
Highly sensitive and easily recoverable excitonic piezochromic fluorescent materials for haptic sensors and anti‐counterfeiting applications
Z Man, Z Lv, Z Xu, Q Liao, J Liu, Y Liu, L Fu, M Liu, S Bai, H Fu
Advanced Functional Materials 30 (17), 2000105, 2020
762020
Why replacing different oxygens of thymine with sulfur causes distinct absorption and intersystem crossing
S Bai, M Barbatti
The Journal of Physical Chemistry A 120 (32), 6342-6350, 2016
502016
On the origin of the shift between vertical excitation and band maximum in molecular photoabsorption
S Bai, R Mansour, L Stojanović, JM Toldo, M Barbatti
Journal of molecular modeling 26, 1-9, 2020
462020
Calculation of electron transfer rates using mixed quantum classical approaches: Nonadiabatic limit and beyond
W Xie, S Bai, L Zhu, Q Shi
The Journal of Physical Chemistry A 117 (29), 6196-6204, 2013
442013
On the decay of the triplet state of thionucleobases
S Bai, M Barbatti
Physical Chemistry Chemical Physics 19 (20), 12674-12682, 2017
412017
New Insights into the State Trapping of UV-Excited Thymine
L Stojanović, S Bai, J Nagesh, AF Izmaylov, R Crespo-Otero, H Lischka, ...
Molecules 21 (11), 1603, 2016
402016
Revealing the nature of singlet fission under the veil of internal conversion
L Wang, S Bai, Y Wu, Y Liu, J Yao, H Fu
Angewandte Chemie International Edition 59 (5), 2003-2007, 2020
352020
Equilibrium excited state and emission spectra of molecular aggregates from the hierarchical equations of motion approach
Y Jing, L Chen, S Bai, Q Shi
The Journal of Chemical Physics 138 (4), 2013
342013
Efficient bosonic condensation of exciton polaritons in an H-aggregate organic single-crystal microcavity
J Ren, Q Liao, H Huang, Y Li, T Gao, X Ma, S Schumacher, J Yao, S Bai, ...
Nano Letters 20 (10), 7550-7557, 2020
282020
Self-assembly of twisted tetrachloroperylenediimide chromophores into two dimensional brick-stone aggregates: exciton dynamics and photoconductivity
X Cao, S Bai, Y Wu, Q Liao, Q Shi, H Fu, J Yao
Chemical communications 48 (51), 6402-6404, 2012
272012
Quantum interferences among Dexter energy transfer pathways
S Bai, P Zhang, P Antoniou, SS Skourtis, DN Beratan
Faraday Discussions 216, 301-318, 2019
242019
Effects of different quantum coherence on the pump–probe polarization anisotropy of photosynthetic light-harvesting complexes: a computational study
S Bai, K Song, Q Shi
The Journal of Physical Chemistry Letters 6 (10), 1954-1960, 2015
202015
Intersystem crossing dynamics in singly substituted thiouracil studied by time-resolved photoelectron spectroscopy: Micro-environmental effects due to sulfur position
A Mohamadzade, S Bai, M Barbatti, S Ullrich
Chemical Physics 515, 572-579, 2018
192018
Photocurrent Enhancement in Diketopyrrolopyrrole Solar Cells by Manipulating Dipolar Anchoring Terminals on Alkyl‐Chain Spacers
A Tang, Z Lu, S Bai, J Huang, Y Chen, Q Shi, C Zhan, J Yao
Chemistry–An Asian Journal 9 (3), 883-892, 2014
192014
Divide-to-Conquer: a kinetic model for singlet oxygen photosensitization
S Bai, M Barbatti
Journal of chemical theory and computation 13 (11), 5528-5538, 2017
182017
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