Articles with public access mandates - Jun YangLearn more
Not available anywhere: 7
Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy
J Yang, W Hu, D Usvyat, D Matthews, M Schütz, GKL Chan
Science 345 (6197), 640-643, 2014
Mandates: German Research Foundation
Quasirelativistic f-in-core pseudopotentials and core-polarization potentials for trivalent actinides and lanthanides: molecular test for trifluorides
A Weigand, X Cao, J Yang, M Dolg
Theoretical Chemistry Accounts: Theory, Computation, and Modeling …, 2010
Mandates: German Research Foundation
Cysteine/Penicillamine Ligation Independent of Terminal Steric Demands for Chemical Protein Synthesis
Y Tan, J Li, K Jin, J Liu, Z Chen, J Yang, X Li
Angewandte Chemie 59 (31), 12741-12745, 2020
Mandates: National Natural Science Foundation of China, Research Grants Council, Hong Kong
Water Charge Transfer Accelerates Criegee Intermediate Reaction with H2O–Radical Anion at the Aqueous Interface
Q Liang, C Zhu, J Yang
Journal of the American Chemical Society 145 (18), 10159-10166, 2023
Mandates: Research Grants Council, Hong Kong
Red Phosphorus: An Elementary Semiconductor for Room-temperature NO2 Gas Sensing
Q Zhu, H Wang, J Yang, C Xie, D Zeng, N Zhao
ACS sensors 3 (12), 2629-2636, 2018
Mandates: Research Grants Council, Hong Kong
Harvesting More Energetic Photoexcited Electrons from Closely Packed Gold Nanoparticles
KM Ng, SKM Lai, Z Chen, YH Cheng, HW Tang, W Huang, Y Su, J Yang
Journal of the American Society for Mass Spectrometry 32 (3), 815-824, 2021
Mandates: Research Grants Council, Hong Kong
Exploring optimal multimode vibronic pathways in singlet fission of azaborine analogues of perylene
R Walia, J Yang
Photochemical & Photobiological Sciences 21, 1689–1700, 2022
Mandates: Research Grants Council, Hong Kong
Available somewhere: 18
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, et al
Molecular Physics, 1-32, 2014
Mandates: US National Institutes of Health
Recent developments in the PySCF program package
Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ...
The Journal of chemical physics 153 (2), 2020
Mandates: US National Science Foundation, US Department of Energy, Swiss National …
The orbital-specific-virtual local coupled cluster singles and doubles method
J Yang, GKL Chan, FR Manby, M Schu¨ tz, HJ Werner
Journal of Chemical Physics 136 (14), 144105, 2012
Mandates: German Research Foundation
A general second order complete active space self-consistent-field solver for large-scale systems
Q Sun, J Yang, GKL Chan
Chemical Physics Letters 683, 291-299, 2017
Mandates: US National Science Foundation
The orbital-specific virtual local triples correction: OSV-L (T)
M Schütz, J Yang, GK Chan, FR Manby, HJ Werner
The Journal of Chemical Physics 138 (5), 2013
Mandates: German Research Foundation
Strong metal–metal Pauli repulsion leads to repulsive metallophilicity in closed-shell d8 and d10 organometallic complexes
Q Wan, J Yang, WP To, CM Che
Proceedings of the National Academy of Sciences 118 (1), e2019265118, 2021
Mandates: Research Grants Council, Hong Kong
Kinetically Controlled Self-Assembly of Phosphorescent AuIII Aggregates and Ligand-to-Metal–Metal Charge Transfer Excited State: A Combined Spectroscopic …
Q Wan, J Xia, W Lu, J Yang, CM Che
Journal of the American Chemical Society 141 (29), 11572-11582, 2019
Mandates: Research Grants Council, Hong Kong
Highly accurate CCSD (R12) and CCSD (F12) optical response properties using standard triple-ζ basis sets
J Yang, C Hättig
The Journal of chemical physics 131 (7), 2009
Mandates: German Research Foundation
Structures and harmonic vibrational frequencies for excited states of diatomic molecules with CCSD (R12) and CCSD (F12) models
J Yang, C Hättig
The Journal of chemical physics 130 (12), 2009
Mandates: German Research Foundation
Metal–Organic Framework Supported Copper Photoredox Catalysts for Iminyl Radical‐Mediated Reactions
B Ma, Q Xia, D Wang, JK Jin, Z Li, QJ Liang, MY Sun, D Liu, LJ Liu, ...
Angewandte Chemie International Edition 62 (21), e202300233, 2023
Mandates: National Natural Science Foundation of China, Research Grants Council, Hong Kong
Complete OSV-MP2 analytical gradient theory for molecular structure and dynamics simulations
R Zhou, Q Liang, J Yang
Journal of Chemical Theory and Computation 16 (1), 196-210, 2019
Mandates: Research Grants Council, Hong Kong
Phosphine‐Triggered Structural Defects in Au44 Homologues Boost Electrocatalytic CO2 Reduction
S Zhuang, D Chen, WP Ng, LJ Liu, MY Sun, D Liu, T Nawaz, Q Xia, X Wu, ...
Angewandte Chemie International Edition 62 (33), e202306696, 2023
Mandates: National Natural Science Foundation of China, Research Grants Council, Hong Kong
Phosphinous Acid–Phosphinito Tetra-Icosahedral Au52 Nanoclusters for Electrocatalytic Oxygen Reduction
S Zhuang, D Chen, WP Ng, D Liu, LJ Liu, MY Sun, T Nawaz, X Wu, ...
JACS Au 2 (11), 2617–2626, 2022
Mandates: Chinese Academy of Sciences, National Natural Science Foundation of China …
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