Articles with public access mandates - Wenjian LiuLearn more
Available somewhere: 59
Morphological effects of the nanostructured ceria support on the activity and stability of CuO/CeO2 catalysts for the water-gas shift reaction
S Yao, et al.
Phys. Chem. Chem. Phys. 16, 17183-17195, 2014
Mandates: European Commission, Government of Spain
Quasirelativistic theory. II. Theory at matrix level
W Liu, W Kutzelnigg
The Journal of chemical physics 126 (11), 2007
Mandates: German Research Foundation
iCI: Iterative CI toward full CI
W Liu, MR Hoffmann
Journal of chemical theory and computation 12 (3), 1169-1178, 2016
Mandates: US National Science Foundation, National Natural Science Foundation of China
Rational design of photocatalysts for controlled polymerization: effect of structures on photocatalytic activities
C Wu, N Corrigan, CH Lim, W Liu, G Miyake, C Boyer
Chemical reviews 122 (6), 5476-5518, 2022
Mandates: US National Institutes of Health, Australian Research Council, National …
Unraveling the Dynamic Nature of a CuO/CeO2 Catalyst for CO Oxidation in Operando: A Combined Study of XANES (Fluorescence) and DRIFTS
S Yao, K Mudiyanselage, W Xu, AC Johnston-Peck, JC Hanson, T Wu, ...
ACS Catalysis 4 (6), 1650-1661, 2014
Mandates: European Commission, Government of Spain
The ground state electronic energy of benzene
JJ Eriksen, TA Anderson, JE Deustua, K Ghanem, D Hait, MR Hoffmann, ...
The journal of physical chemistry letters 11 (20), 8922-8929, 2020
Mandates: US National Science Foundation, US Department of Energy, US Department of …
Quasirelativistic theory I. Theory in terms of a quasi-relativistic operator
W Kutzelnigg, W Liu
Molecular Physics 104 (13-14), 2225-2240, 2006
Mandates: German Research Foundation
BDF: A relativistic electronic structure program package
Y Zhang, B Suo, Z Wang, N Zhang, Z Li, Y Lei, W Zou, J Gao, D Peng, ...
The Journal of Chemical Physics 152 (6), 2020
Mandates: National Natural Science Foundation of China
Computer-guided discovery of a pH-responsive organic photocatalyst and application for pH and light dual-gated polymerization
C Wu, H Chen, N Corrigan, K Jung, X Kan, Z Li, W Liu, J Xu, C Boyer
Journal of the American Chemical Society 141 (20), 8207-8220, 2019
Mandates: Australian Research Council
Iterative configuration interaction with selection
N Zhang, W Liu, MR Hoffmann
Journal of Chemical Theory and Computation 16 (4), 2296-2316, 2020
Mandates: National Natural Science Foundation of China
First-order nonadiabatic coupling matrix elements between excited states: A Lagrangian formulation at the CIS, RPA, TD-HF, and TD-DFT levels
Z Li, W Liu
The Journal of chemical physics 141 (1), 2014
Mandates: National Natural Science Foundation of China
Essentials of relativistic quantum chemistry
W Liu
The Journal of chemical physics 152 (18), 2020
Mandates: National Natural Science Foundation of China
First order nonadiabatic coupling matrix elements between excited states: Implementation and application at the TD-DFT and pp-TDA levels
Z Li, B Suo, W Liu
The Journal of chemical physics 141 (24), 2014
Mandates: National Natural Science Foundation of China
On the spin separation of algebraic two-component relativistic Hamiltonians: Molecular properties
Z Li, Y Xiao, W Liu
The Journal of Chemical Physics 141 (5), 2014
Mandates: National Natural Science Foundation of China
Solvent effects on the optical spectra and excited-state decay of triphenylamine-thiadiazole with hybridized local excitation and intramolecular charge transfer
D Fan, Y Yi, Z Li, W Liu, Q Peng, Z Shuai
J. Phys. Chem. A 119, 5233-5240, 2015
Mandates: Chinese Academy of Sciences, National Natural Science Foundation of China
Unravelling an oxygen-mediated reductive quenching pathway for photopolymerisation under long wavelengths
C Wu, K Jung, Y Ma, W Liu, C Boyer
Nature Communications 12 (1), 478, 2021
Mandates: Australian Research Council, National Natural Science Foundation of China
Relativistic time-dependent density functional theories
W Liu, Y Xiao
Chemical Society Reviews 47 (12), 4481-4509, 2018
Mandates: National Natural Science Foundation of China
Going beyond “no-pair relativistic quantum chemistry”
W Liu, I Lindgren
The Journal of Chemical Physics 139 (1), 2013
Mandates: Swedish Research Council
Big picture of relativistic molecular quantum mechanics
W Liu
National Science Review 3, 204-221, 2016
Mandates: National Natural Science Foundation of China
Further development of SDSPT2 for strongly correlated electrons
Y Lei, W Liu, MR Hoffmann
Molecular Physics 115 (21-22), 2696-2707, 2017
Mandates: US National Science Foundation, National Natural Science Foundation of China
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