Ruo-Zhuang Liu

发表

A multi-dimensional microcanonical Monte Carlo study of S0 → T1 intersystem crossing of isocyanic acid

Yi Luo, W. Fang, F. Zhang, 2009 .

Ab initio studies of dissociation pathways on the ground- and excited-state potential energy surfaces for formyl chloride (HClCO)

W. Fang, Ruo-Zhuang Liu, 2001 .

Water-assisted transamination of glycine and formaldehyde.

W. Fang, J. Yu, W. Ding, 2007, The journal of physical chemistry. A.

Electronic structures and infrared spectra of C120O2, C120OS and C120S2

S. Du, Yuanhe Huang, Yuxue Li, 2001 .

Electron affinities of the bromine oxides BrOn, n = 1-4

H. Schaefer III, Yaoming Xie, Yan Wang, 2000 .

The infrared spectrum of the nitric oxide dimer cation: Problems for density functional theory and a muddled relationship to experiment

H. Schaefer, Yaoming Xie, Xiaoyuan Fu, 1999 .

Octacoordinate carbons encaged inside carborane clusters: a density functional theory investigation.

Yang Wang, Bing Yin, Yuanhe Huang, 2008, The journal of physical chemistry. A.

Electronic properties of one-dimensional C36 polymers

S. Du, Yuanhe Huang, Yuxue Li, 2002 .

Transition states for inversion and retention of configuration channels in the reactions of alkyl and silyl fluorides with a water molecule

Xiaoyun Fu, I. Ignatyev, Ruo-Zhuang Liu, 2000 .

Hexa- and octacoordinate carbon in hydrocarbon cages: theoretical design and characterization.

Yang Wang, Yuanhe Huang, Ruo-Zhuang Liu, 2006, Chemistry.

Evaluation of Influencing Factors in Tetravalent Uranium(IV) Complex Mediated CO2 Functionalization by Density Functional Theory.

Dongqi Wang, W. Ding, Ruo-Zhuang Liu, 2020, The journal of physical chemistry. A.

Crystal orbital study on carbon chains encapsulated in armchair carbon nanotubes with various diameters

Yang Wang, Yuanhe Huang, Ruo-Zhuang Liu, 2008 .

Theoretical studies on pyridoxal 5′‐phosphate‐dependent transamination of α‐amino acids

Rong-Zhen Liao, Wan-Jian Ding, Jian-Guo Yu, 2008, J. Comput. Chem..

Analysis of ice-binding sites in fish type II antifreeze protein by quantum mechanics.

Z. Jia, H. Tan, Guangju Chen, 2002, Biophysical journal.

Systematic size study of an insect antifreeze protein and its interaction with ice.

Z. Jia, Guangju Chen, C. Tung, 2005, Biophysical journal.

Structures and stabilities of C60-rings

S. Du, Yuanhe Huang, Yuxue Li, 2001 .

The role of charge transfer in the hydrogen bond cooperative effect of cis-N-methylformamide oligomers.

H. Tan, Guangju Chen, Wenwen Qu, 2005, The journal of physical chemistry. A.

The self-assembled of cyclic D,L-α-peptide systems: Insights into the structure and energetics

H. Tan, Guangju Chen, Wenwen Qu, 2010 .

Theoretical characterization of the structures and properties of phenol-(H2O)(2) complexes

W. Fang, Ruo-Zhuang Liu, 2000 .

Theoretical study of structures and energies of [HCOO]+ and [COOH]+ and their rearrangement

K. Morokuma, K. Yamashita, Jian-Guo Yu, 1986 .

Photodissociation of acetic acid in the gas phase: an ab initio study.

W. Fang, Xuming Zheng, D. Phillips, 2002, The Journal of organic chemistry.

Theoretical calculation of rate constants for the thermal isomerization from 1, 2-butadiene to 1, 3-butadiene

W. Feng, Ming Lei, Yan Wang, 1998 .

Quantum chemical study on the mechanism of the consecutive addition of HCN to aminoacetonitrile

Ruo-Zhuang Liu, San-Guo Hong, 2010 .

An ab initio study of potential energy surfaces of CH3COCN dissociation on the low-lying states

W. Fang, W. Ding, Ruo-Zhuang Liu, 2002 .

A combined CASSCF and TDDFT study on the structures and properties of formyl cyanide in low-lying electronic states

W. Fang, W. Ding, Ruo-Zhuang Liu, 2003 .

Theoretical study on unimolecular reactions of formyl cyanide

W. Fang, X. You, Ruo-Zhuang Liu, 1994 .

Photodissociation of formic acid

W. Fang, Hong-mei Su, F. Kong, 2000 .

An ab initio study on the insertion reactions of CH [X2II] with NH3, H2O, and HF

Zhonghua Yu, Zhi‐Xiang Wang, Ruo-Zhuang Liu, 1996 .

Theoretical Study of the Low-Lying Excited States of Butoxy Radicals and Non-Radiative Decay Routes

W. Fang, Lily Zu, Ling Lin, 2007 .

Computational study on the function of water within a beta-helix antifreeze protein dimer and in the process of ice-protein binding.

Z. Jia, Guangju Chen, Zuoyin Yang, 2003, Biophysical journal.

Deformation Potential Approach to the Estimation of the Peierls Phase Transition Temperature

Yuanhe Huang, Ruo-Zhuang Liu, Hongqun Zhang, 1993 .

THEORETICAL STUDY ON INTERMOLECULAR COUPLING IN A ONE-DIMENSIONAL C60 POLYMER

Guangju Chen, Yuanhe Huang, Ruo-Zhuang Liu, 1998 .

Theoretical studies on one-dimensional fullerenes C36 polymers

Yuanhe Huang, Ruo-Zhuang Liu, Yuan-Chan Chen, 2000 .

Structure and electronic properties of nitrogen-containing carbon nanotubes

Yuanhe Huang, Ruo-Zhuang Liu, J. Gao, 2000 .

Structures and stabilities of C36-rings

S. Du, Yuanhe Huang, Yuxue Li, 2002 .

Ab initio studies of dissociation pathways on the ground- and excited-state potential energy surfaces for HFCO

W. Fang, Ruo-Zhuang Liu, 2001 .

Structural and electronic properties of carbon nanowires made of linear carbon chains enclosed inside zigzag carbon nanotubes

Yang Wang, Yuanhe Huang, Ruo-Zhuang Liu, 2006 .

Effect of S Replacement on the Mechanism of Unimolecular Reactions for Ground-state Thioacetic Acid: A Theoretical Study

W. Ding, Ai-jun Lu, Ruo-Zhuang Liu, 2009 .

Insights into the photochemical processes of ClC(O)SCl from ab initio calculations.

W. Fang, Ling Lin, W. Ding, 2006, Journal of Physical Chemistry A.

Theoretical study on the insertion reaction of CH(X2Π) with CH4

Zhi‐Xiang Wang, Ruo-Zhuang Liu, Ming-Bao Huang, 1997 .

A new method for the derivation of exact vibration-rotational kinetic energy operator in internal coordinates

Guangju Chen, Ruo-Zhuang Liu, 1997 .

Implementation of a microcanonical variational transition state theory for direct dynamics calculations of rate constants

Yan Wang, W. Feng, Ying Qian, 2003 .

Theoretical study of dynamical properties on reaction path in molecular internal coordinates

Xianzhong Xu, Ruo-Zhuang Liu, Zong-he Li, 1999 .