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Qian-Rui Huang
Qian-Rui Huang
Verified email at gate.sinica.edu.tw
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Cited by
Year
The strength of actinide–element bonds from the quantum theory of atoms-in-molecules
QR Huang, JR Kingham, N Kaltsoyannis
Dalton Transactions 44 (6), 2554-2566, 2015
732015
Smallest electrical wire based on extended metal-atom chains
TW Tsai, QR Huang, SM Peng, BY Jin
The Journal of Physical Chemistry C 114 (8), 3641-3644, 2010
552010
Charge transport through a single molecular wire based on linear multimetal complexes: A Non-Equilibrium Green’s Function approach
LY Hsu, QR Huang, BY Jin
The Journal of Physical Chemistry C 112 (28), 10538-10541, 2008
352008
Fermi resonance in solvated H 3 O+: A counter-intuitive trend confirmed via a joint experimental and theoretical investigation
QR Huang, T Nishigori, M Katada, A Fujii, JL Kuo
Physical Chemistry Chemical Physics 20 (20), 13836-13844, 2018
242018
Vibrational spectra of small methylamine clusters accessed by an ab initio anharmonic approach
QR Huang, YC Li, KL Ho, JL Kuo
Physical Chemistry Chemical Physics 20 (11), 7653-7660, 2018
212018
Infrared spectra of neutral dimethylamine clusters: An infrared-vacuum ultraviolet spectroscopic and anharmonic vibrational calculation study
B Zhang, QR Huang, S Jiang, LW Chen, PJ Hsu, C Wang, C Hao, X Kong, ...
The Journal of Chemical Physics 150 (6), 064317, 2019
132019
Vibrational spectroscopy of protonated amine–water clusters: Tuning Fermi resonance and lighting up dark states
CK Lin, R Shishido, QR Huang, A Fujii, JL Kuo
Physical Chemistry Chemical Physics 22 (38), 22035-22046, 2020
112020
Deconstructing vibrational motions on the potential energy surfaces of hydrogen-bonded complexes
B Zhang, S Yang, QR Huang, S Jiang, R Chen, X Yang, DH Zhang, ...
CCS Chemistry 3 (1), 829-835, 2021
92021
Vibrational spectroscopic signatures of hydrogen bond induced NH stretch–bend Fermi-resonance in amines: The methylamine clusters and other N–H⋯ N hydrogen-bonded complexes
S Mishra, HQ Nguyen, QR Huang, CK Lin, JL Kuo, GN Patwari
The Journal of Chemical Physics 153 (19), 194301, 2020
82020
Strong Fermi Resonance Associated with Proton Motions Revealed by Vibrational Spectra of Asymmetric Proton‐Bound Dimers
QR Huang, R Shishido, CK Lin, CW Tsai, JA Tan, A Fujii, JL Kuo
Angewandte Chemie International Edition 60 (4), 1936-1941, 2021
72021
Vibrational Signature of Dynamic Coupling of a Strong Hydrogen Bond
S Jiang, M Su, S Yang, C Wang, QR Huang, G Li, H Xie, J Yang, G Wu, ...
The Journal of Physical Chemistry Letters 12 (9), 2259-2265, 2021
52021
Understanding Fermi resonances in the complex vibrational spectra of the methyl groups in methylamines
QR Huang, T Endo, S Mishra, B Zhang, LW Chen, A Fujii, L Jiang, ...
Physical Chemistry Chemical Physics 23 (6), 3739-3747, 2021
52021
Vibrational Coupling in Solvated H3O+: Interplay between Fermi Resonance and Combination Band
QR Huang, YC Li, T Nishigori, M Katada, A Fujii, JL Kuo
The Journal of Physical Chemistry Letters 11 (23), 10067-10072, 2020
52020
Anharmonic coupling behind vibrational spectra of solvated ammonium: lighting up overtone states by Fermi resonance through tuning solvation environments
CK Lin, QR Huang, JL Kuo
Physical Chemistry Chemical Physics 22 (41), 24059-24069, 2020
42020
Electric Current Fluctuations Induced by Molecular Vibrations in the Adiabatic Limit: Molecular Dynamics-Driven Liouville von Neumann Approach
TM Chiang, QR Huang, LY Hsu
The Journal of Physical Chemistry C 123 (17), 10746-10755, 2019
32019
Infrared Spectroscopy and Anharmonic Vibrational Analysis of (H2O–Krn)+ (n = 1–3): Hemibond Formation of the Water Radical Cation
JM Liu, T Nishigori, T Maeyama, QR Huang, M Katada, JL Kuo, A Fujii
The Journal of Physical Chemistry Letters 12 (33), 7997-8002, 2021
22021
Anharmonic coupling revealed by the vibrational spectra of solvated protonated methanol: Fermi resonance, combination bands, and isotope effect
CK Lin, QR Huang, YC Li, HQ Nguyen, JL Kuo, A Fujii
The Journal of Physical Chemistry A 125 (9), 1910-1918, 2021
12021
Infrared–vacuum ultraviolet spectroscopy of the CH stretching vibrations of jet‐cooled aromatic azine molecules and the anharmonic analysis
JY Feng, QR Huang, HQ Nguyen, JL Kuo, T Ebata
Journal of the Chinese Chemical Society 69 (1), 160-172, 2022
2022
An ab initio anharmonic approach to IR, Raman and SFG spectra of the solvated methylammonium ion
CK Lin, QR Huang, M Hayashi, JL Kuo
Physical Chemistry Chemical Physics 23 (45), 25736-25747, 2021
2021
Understanding Fermi resonances behind the complex vibrational spectra of the methyl groups in simple alcohol, thiol, and their ethers
QR Huang, Y Matsuda, R Eguchi, A Fujii, JL Kuo
Journal of the Chinese Chemical Society, 2021
2021
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