Shenmin Li

发表

Hydrogenation of levulinic acid into gamma-valerolactone over in situ reduced CuAg bimetallic catalyst: Strategy and mechanism of preventing Cu leaching

Xinwen Guo, Chunshan Song, Xudong Sun, 2018, Applied Catalysis B: Environmental.

An ab initio study on the reaction NH2+CH4 → NH3+CH3

Zesheng Li, Chia-Chung Sun, Zhenfeng Xu, 1998 .

Absorption of Carbon Dioxide Using Ethanolamine-Based Deep Eutectic Solvents

Changping Li, Yongming Shen, Guang Yang, 2019, ACS Sustainable Chemistry & Engineering.

Computational and experimental research on mechanism of cis/trans isomerization of oleic acid

Jingmei Yin, Shenmin Li, Ningning Cheng, 2018, Heliyon.

The interaction between D3h-C74 and fluorine

C. Hao, Hongjiang Li, J. Qiu, 2011 .

Cobalt–Graphene Catalyst for Selective Hydrodeoxygenation of Guaiacol to Cyclohexanol

Jinxia Zhou, Yang Lv, Jingbo Mao, 2022, Nanomaterials.

Cobalt–graphene nanomaterial as an efficient catalyst for selective hydrogenation of 5-hydroxymethylfurfural into 2,5-dimethylfuran

Fan Yang, Jinxia Zhou, Wei Liu, 2019, Catalysis Science & Technology.

A TD-DFT study on dissociative loss of the axial and equatorial carbonyl for HCo(CO)4

Jingmei Yin, Shenmin Li, Qinning Li, 2008 .

A Ag–ZrO2–graphene oxide nanocomposite as a metal-leaching-resistant catalyst for the aqueous-phase hydrogenation of levulinic acid into gamma-valerolactone

Ting Ren, Jinxia Zhou, Jingbo Mao, 2020, New Journal of Chemistry.

Molecular dynamics simulations of the vibrational relaxation of I2 in Xe on an ab initio-based potential function

W. Thompson, Shenmin Li, 2004 .

Theoretical studies on the reaction path dynamics and variational transition-state theory rate constants of the hydrogen-abstraction reactions of the NH(X{sup 3}{Sigma}{sup {minus}}) radical with methane and ethane

Zesheng Li, Zhenfeng Xu, Yongmin Yu, 1999 .

Experimental and modeling investigation of organic modified montmorillonite with octyl quaternary ammonium salt

Yingna Cui, Hongyan Liu, Jingmei Yin, 2022, Scientific Reports.

Comparative molecular dynamics simulations of histone deacetylase‐like protein: Binding modes and free energy analysis to hydroxamic acid inhibitors

Z. Xiu, Chunli Yan, Hu Teng, 2008, Proteins.

A single Lanczos propagation method for calculating transition amplitudes. III. S-matrix elements with a complex-symmetric Hamiltonian

Guohui Li, Hua Guo, Shenmin Li, 2001 .

Theoretical insights into interfacial and electronic structures of NiO /SrTiO3 photocatalyst for overall water splitting

Y. Lv, Xin Zhou, Miaomiao Wang, 2019, Journal of Energy Chemistry.

Impact of non-metal dopants on band-gap engineering and photocatalytic ability of λ-Ta2O5 from a hybrid density functional study

Y. Lv, Xin Zhou, Zhen Liu, 2017 .

Experimental and theoretical studies on compositions, structures, and IR and NMR spectra of functionalized protic ionic liquids.

Ailing Wang, Guang Yang, Yingna Cui, 2016, Physical chemistry chemical physics : PCCP.

Polarizable TIP7P Water Model with the Perturbation Charges Evaluated from ABEEM.

H. Zhang, Zhong-Zhi Yang, Dong‐Xia Zhao, 2020, The journal of physical chemistry. B.

The interaction between C70 (D5h) and X atom (X = H, F)

C. Hao, Shaopeng Sun, Jinlan Sun, 2009 .

Monte Carlo wave packet study of negative ion mediated vibrationally inelastic scattering of NO from the metal surface

Hua Guo, Shenmin Li, 2002 .

Stability of a new class of unnatural hydrogen-bonded molecular duplexes: A computational study

Hua Guo, B. Gong, D. Xie, 2005 .

High-level ab initio and density functional theory study on reaction path and rate constant of the hydrogen abstraction reaction SiH 2 Cl 2 +H→SiHCl 2 +H 2

Zesheng Li, Zhenfeng Xu, Xin-Peng Yu, 2001 .

Reaction path dynamics and theoretical rate constants for the SiH 3 Cl+H→SiH 2 Cl+H 2 reaction by ab initio direct dynamics method

Zesheng Li, Zhenfeng Xu, Xin-Peng Yu, 2001 .

Density functional theory direct dynamics studies on the hydrogen abstraction reactions of SiHCl3+H→SiCl3+H2 and SiH3Cl+H→SiH2Cl+H2

Zesheng Li, Zhenfeng Xu, Xin-Peng Yu, 2001 .

Direct Ab Initio Dynamics Studies of the Reaction Paths and Rate Constants of Hydrogen Atom with Germane and Silane

Xin-Peng Yu, Chia-Chung Sun, Xin Yu, 2000 .

Density Functional Theory and Ab Initio Direct Dynamics Studies on the Hydrogen Abstraction Reactions of SiH4-n(CH3)n + H → SiH3-n(CH3)n + H2, n = 1−3

Zesheng Li, Zhenfeng Xu, Xin-Peng Yu, 2001 .

Ab Initio and DFT Direct Dynamics Studies on the Reaction Path and Rate Constant of the Hydrogen Abstraction Reaction: SiH3F + H → SiH2F + H2

Zhenfeng Xu, Xin-Peng Yu, Shenmin Li, 2001 .

The interaction between oxygen atom and C36 (D6h)

C. Hao, Shenmin Li, Ying-fu Jin, 2008 .

ELECTRON TRANSFER MAKES D3h (78:5) CAGE EASY TO FORM M2@C78(M = La, Ce): A RELATIVISTIC DENSITY-FUNCTIONAL THEORY STUDY

C. Hao, Hongjiang Li, J. Qiu, 2012 .

Removal of thiophene from model oil by polyethylene glycol via forming deep eutectic solvents

Wenqing Xu, Yingna Cui, Jingmei Yin, 2021, Green Processing and Synthesis.

Investigation of Transport Properties of Water-Methanol Solution through a CNT with Oscillating Electric Field.

Guokui Liu, Jin Shi, Shenmin Li, 2017, The journal of physical chemistry. B.

Seven-Site Effective Pair Potential for Simulating Liquid Water.

Zhong-Zhi Yang, Dong‐Xia Zhao, Chong-Li Zhao, 2019, The journal of physical chemistry. B.

Which configuration is more stable for La2@C80, D3d or D2h? Recomputation with ZORA methods within ADF

Junfeng Zhang, C. Hao, Shenmin Li, 2007 .

Theoretical study on the motion of a La atom inside a C82 cage.

Junfeng Zhang, C. Hao, Q. Hou, 2007, The journal of physical chemistry. A.

Corrugation induced rotational excitation in photon/electron-induced desorption of ammonia: A three-dimensional quantum study

Hua Guo, Shenmin Li, 2001 .

How accurate is time-independent perturbation theory for calculating frequency shifts of diatomic molecules in rare gas fluids?

W. Thompson, Shenmin Li, 2005 .

Direct calculation of cumulative reaction probabilities from Chebyshev correlation functions

Hua Guo, D. Xie, Shenmin Li, 2002 .

Direct ab initio dynamics study on the reaction paths and rate constants of hydrogen atoms with methylgermanes GeH3CH3 and GeH2(CH3)2

Yi‐hong Ding, Zesheng Li, Shenmin Li, 2002 .

Direct ab initio dynamics studies of the hydrogen abstraction reaction: AsH3+H → AsH2+H2

Zesheng Li, Zhenfeng Xu, Xin-Peng Yu, 2000 .

Direct dynamics study of the reaction path and rate constants of NH2+C2H6 → NH3+C2H5

Zesheng Li, Zhenfeng Xu, Yongmin Yu, 1999 .

Initial conditions and paths in semiclassical tunneling

D. Thompson, Yin Guo, Shenmin Li, 1997 .

Enhancement of mass transfer through bubbling effect during extraction and reaction in biphasic systems containing ionic liquid

Jinxia Zhou, C. Hui, Jingbo Mao, 2016 .

Simulations of the vibrational relaxation of I2 in Xe

W. Thompson, Shenmin Li, 2003 .