Li-Juan Yu
Title
Cited by
Cited by
Year
Bioinspired graphene membrane with temperature tunable channels for water gating and molecular separation
J Liu, N Wang, LJ Yu, A Karton, W Li, W Zhang, F Guo, L Hou, Q Cheng, ...
Nature Communications 8, 2011, 2017
932017
Proton enhanced dynamic battery chemistry for aprotic lithium–oxygen batteries
QW Yun Guang Zhu, Qi Liu, Yangchun Rong, Haomin Chen, Jing Yang, Chuankun ...
Nature Communications 8, 14308, 2017
74*2017
Reaction barrier heights for cycloreversion of heterocyclic rings: An Achilles’ heel for DFT and standard ab initio procedures
LJ Yu, F Sarrami, RJ O’Reilly, A Karton
Chemical Physics 458, 1-8, 2015
502015
Assessment of theoretical procedures for a diverse set of isomerization reactions involving double-bond migration in conjugated dienes
LJ Yu, A Karton
Chemical Physics 441, 166-177, 2014
392014
Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories
A Karton, LJ Yu, MK Kesharwani, JML Martin
Theoretical Chemistry Accounts 133, 1483, 2014
332014
Extending the shell-isolated nanoparticle-enhanced Raman spectroscopy approach to interfacial ionic liquids at single crystal electrode surfaces
M Zhang, LJ Yu, YF Huang, JW Yan, GK Liu, DY Wu, ZQ Tian, BW Mao
Chemical Communications 50 (94), 14740-14743, 2014
322014
Understanding Cement Hydration of Cemented Paste Backfill: DFT Study of Water Adsorption on Tricalcium Silicate (111) Surface
C Qi, L Liu, J He, Q Chen, LJ Yu, P Liu
Minerals 9 (4), 202, 2019
312019
Thermoresponsive Graphene Membranes with Reversible Gating Regularity for Smart Fluid Control
J Liu, LJ Yu, G Yue, N Wang, Z Cui, L Hou, J Li, Q Li, A Karton, Q Cheng, ...
Advanced Functional Materials, 1808501, 2019
262019
Solvent effect and hydrogen bond interaction on tautomerism, vibrational frequencies, and raman spectra of guanine: a density functional theoretical study
LJ Yu, R Pang, S Tao, HT Yang, DY Wu, ZQ Tian
The Journal of Physical Chemistry A 117 (20), 4286-4296, 2013
192013
Can DFT and ab initio methods describe all aspects of the potential energy surface of cycloreversion reactions?
LJ Yu, F Sarrami, RJ O'Reilly, A Karton
Molecular Physics 114 (1), 21-33, 2016
162016
Binding Interaction and Raman Spectra of p−π Conjugated Molecules Containing CH2/NH2 Groups Adsorbed on Silver Surfaces: A DFT Study of Wagging Modes
S Tao, LJ Yu, R Pang, YF Huang, DY Wu, ZQ Tian
The Journal of Physical Chemistry C 117 (37), 18891-18903, 2013
162013
An assessment of theoretical procedures for π-conjugation stabilisation energies in enones
LJ Yu, F Sarrami, A Karton, RJ O’Reilly
Molecular Physics 113 (11), 1284-1296, 2015
152015
Electrostatic Switching between SN1 and SN2 Pathways
LJ Yu, ML Coote
J. Phys. Chem. A 123 (2), 582-589, 2018
142018
Surface electron–hydronium ion-pair bound to silver and gold cathodes: A density functional theoretical study of photocatalytic hydrogen evolution reaction
R Pang, LJ Yu, DY Wu, BW Mao, ZQ Tian
Electrochimica Acta 101, 272-278, 2013
122013
An extended N-H bond, driven by a conserved second-order interaction, orients the flavin N5 orbital in cholesterol oxidase
E Golden, LJ Yu, F Meilleur, MP Blakeley, AP Duff, A Karton, A Vrielink
Scientific Reports 7, 40517, 2017
112017
Bridging crystal engineering and drug discovery by utilizing intermolecular interactions and molecular shapes in crystals
PR Spackman, LJ Yu, CJ Morton, MW Parker, CS Bond, MA Spackman, ...
Angewandte Chemie International Edition 58 (47), 16780-16784, 2019
92019
DFT study of hydrogen-bonding interaction, solvation effect, and electric-field effect on Raman spectra of hydrated proton
R Pang, LJ Yu, M Zhang, ZQ Tian, DY Wu
The Journal of Physical Chemistry A 120 (42), 8273-8284, 2016
82016
Mechanistic insights into water-catalyzed formation of levoglucosenone from anhydrosugar intermediates by means of high-level theoretical procedures
W Wan, LJ Yu, A Karton
Australian Journal of Chemistry 69 (9), 943-949, 2016
82016
Computational insights for the hydride transfer and distinctive roles of key residues in cholesterol oxidase
LJ Yu, E Golden, N Chen, Y Zhao, A Vrielink, A Karton
Scientific reports 7 (1), 1-13, 2017
72017
To bridge or not to bridge: The role of sulfuric acid in the Beckmann rearrangement
CR Lin, LJ Yu, S Li, A Karton
Chemical Physics Letters 659, 100-104, 2016
72016
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Articles 1–20