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Xiaosong Li
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Gaussian 03
MJ Frisch
http://www. gaussian. com/, 2004
37874*2004
Gaussian 16
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford CT, 2016
212442016
Gaussian 09
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Inc., Wallingford CT, 2009
2575*2009
On the physical origin of blue-shifted hydrogen bonds
X Li, L Liu, HB Schlegel
Journal of the American Chemical Society 124 (32), 9639-9647, 2002
5832002
Energy-represented direct inversion in the iterative subspace within a hybrid geometry optimization method
X Li, MJ Frisch
Journal of Chemical Theory and Computation 2 (3), 835-839, 2006
5342006
Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals. III. Comparison with Born–Oppenheimer dynamics
HB Schlegel, SS Iyengar, X Li, JM Millam, GA Voth, GE Scuseria, ...
The Journal of chemical physics 117 (19), 8694-8704, 2002
5142002
Highly efficient all-inorganic perovskite solar cells with suppressed non-radiative recombination by a Lewis base
J Wang, J Zhang, Y Zhou, H Liu, Q Xue, X Li, CC Chueh, HL Yip, Z Zhu, ...
Nature communications 11 (1), 177, 2020
4802020
Ab initio Ehrenfest dynamics
X Li, JC Tully, HB Schlegel, MJ Frisch
The Journal of chemical physics 123 (8), 084106, 2005
4332005
Improved Charge Transport and Absorption Coefficient in Indacenodithieno [3, 2‐b] thiophene‐based Ladder‐Type Polymer Leading to Highly Efficient Polymer Solar Cells
YX Xu, CC Chueh, HL Yip, FZ Ding, YX Li, CZ Li, X Li, WC Chen, AKY Jen
Advanced Materials 24 (47), 6356-6361, 2012
3842012
Mixed Cation FAxPEA1–xPbI3 with Enhanced Phase and Ambient Stability toward High‐Performance Perovskite Solar Cells
N Li, Z Zhu, CC Chueh, H Liu, B Peng, A Petrone, X Li, L Wang, AKY Jen
Advanced Energy Materials 7 (1), 1601307, 2017
3592017
Gaussian Development Version
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
3512010
Doping of fullerenes via anion-induced electron transfer and its implication for surfactant facilitated high performance polymer solar cells.
CZ Li, CC Chueh, F Ding, HL Yip, PW Liang, X Li, AK Jen
Advanced Materials (Deerfield Beach, Fla.) 25 (32), 4425-4430, 2013
2862013
A time-dependent Hartree–Fock approach for studying the electronic optical response of molecules in intense fields
X Li, SM Smith, AN Markevitch, DA Romanov, RJ Levis, HB Schlegel
Physical Chemistry Chemical Physics 7 (2), 233-239, 2005
2352005
Rational enhancement of second-order nonlinearity: bis-(4-methoxyphenyl) hetero-aryl-amino donor-based chromophores: design, synthesis, and electrooptic activity
JA Davies, A Elangovan, PA Sullivan, BC Olbricht, DH Bale, TR Ewy, ...
Journal of the American Chemical Society 130 (32), 10565-10575, 2008
2222008
Highly efficient organic solar cells based on S, N-heteroacene non-fullerene acceptors
C Huang, X Liao, K Gao, L Zuo, F Lin, X Shi, CZ Li, H Liu, X Li, F Liu, ...
Chemistry of Materials 30 (15), 5429-5434, 2018
2122018
Single-Crystal and Electronic Structure of a 1.3 nm Indium Phosphide Nanocluster
DC Gary, SE Flowers, W Kaminsky, A Petrone, X Li, BM Cossairt
Journal of the American Chemical Society 138 (5), 1510-1513, 2016
1942016
Real-Time Time-Dependent Electronic Structure Theory
X Li, N Govind, C Isborn, AE DePrince III, K Lopata
Chemical Reviews 120 (18), 9951-9993, 2020
1872020
Molecular weight effect on the absorption, charge carrier mobility, and photovoltaic performance of an indacenodiselenophene-based ladder-type polymer
JJ Intemann, K Yao, HL Yip, YX Xu, YX Li, PW Liang, FZ Ding, X Li, ...
Chemistry of Materials 25 (15), 3188-3195, 2013
1762013
Charge-controlled magnetism in colloidal doped semiconductor nanocrystals
ST Ochsenbein, Y Feng, KM Whitaker, E Badaeva, WK Liu, X Li, ...
Nature nanotechnology 4 (10), 681-687, 2009
1762009
Tailoring the Functionality of Organic Spacer Cations for Efficient and Stable Quasi‐2D Perovskite Solar Cells
W Fu, H Liu, X Shi, L Zuo, X Li, AKY Jen
Advanced Functional Materials 29 (25), 1900221, 2019
1722019
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