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北京大学 [13]
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期刊论文 [34]
会议论文 [2]
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The efficient synthesis of diethyl carbonate via coupling reaction from propylene oxide, CO2 and ethanol over binary PVEImBr/MgO catalyst
会议论文
Singapore, SINGAPORE, JUL 05-09, 2015
作者:
Wang, Liguo
;
Ammar, Muhammad
;
He, Peng
;
Li, Yuqian
;
Cao, Yan
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/06/21
Carbon Dioxide
Functionalized Ionic Liquid
Diethyl Carbonate
Dimethyl Carbonate
Coupling Reaction
Cyclic Carbonates
Binary
Polyatomic-molecules
Mechanism
Polyethylene-glycol
Nanocrystalline Mgo
Assisted Synthesis
Transition-states
Magnesium-oxide
Al hydrotAlcite
Catalysts screening, optimization and mechanism studies of dimethylhexane-1,6-dicarbamate synthesis from 1,6-hexanediamine and dimethyl carbonate over Mn(OAc)(2) catalyst
会议论文
Singapore, SINGAPORE, JUL 05-09, 2015
作者:
Zhao, Liyan
;
He, Peng
;
Wang, Liguo
;
Ammar, Muhammad
;
Cao, Yan
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/06/21
Dimethyl Carbonate (Dmc)
Zinc Acetate
Dimethylhexane-1,6-dicarbamate (Hdc)
Polyatomic-molecules
Mechanism
Diethyl Carbonate
Homogeneous Catalyst
Transition-states
Alkyl Carbamate
Methoxycarbonylation
1,6-hexamethylenediamine
Dicarbamate
Methanol
Dioxide
Solvent Effects on the Optical Spectra and Excited-State Decay of Triphenylamine-thiadiazole with Hybridized Local Excitation and Intramolecular Charge Transfer
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2015
Fan, Di
;
Yi, Yuanping
;
Li, Zhendong
;
Liu, Wenjian
;
Peng, Qian
;
Shuai, Zhigang
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
LIGHT-EMITTING-DIODES
DELAYED FLUORESCENCE
POLYATOMIC-MOLECULES
TD-DFT
FORMALISM
COMPLEX
DYES
Assessment of mode-mixing and Herzberg-Teller effects on two-photon absorption and resonance hyper-Raman spectra from a time-dependent approach
期刊论文
http://dx.doi.org/10.1063/1.4867273, 2014
Ma, HuiLi
;
Zhao, Yi
;
Liang, WanZhen
;
赵仪
;
梁万珍
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/07/22
DENSITY-FUNCTIONAL THEORY
FRANCK-CONDON PRINCIPLE
FLUORESCENT PROTEINS
POLYATOMIC-MOLECULES
EXCITATION PROFILES
INCLUDING DUSCHINSKY
VIBRONIC TRANSITIONS
DYNAMICAL SYMMETRY
INTENSITY ANALYSIS
RESPONSE FUNCTIONS
Body-fixed relativistic molecular Hamiltonian and its application to nuclear spin-rotation tensor
期刊论文
journal of chemical physics, 2013
Xiao, Yunlong
;
Liu, Wenjian
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2015/11/11
NONLINEAR SEMIRIGID MOLECULES
HYPERFINE INTERACTIONS
POLYATOMIC-MOLECULES
MAGNETIC-PROPERTIES
QUANTUM-CHEMISTRY
PARAMETERS
Stuffing Enhances the Stability of Medium-Sized (GaAs)n Clusters
期刊论文
J. Phys. Chem. C, 2013, 卷号: Vol.117 No.24, 页码: 12835-12840
作者:
Mu,Y. W.
;
Song,Wen Jun
;
Lu,Qi Liang
;
Wan,Jian Guo
;
Meng,Jun Wei
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/04/22
GAS CORRELATION-ENERGY
ELECTRONIC-PROPERTIES
PHOTOELECTRON-SPECTROSCOPY
POLYATOMIC-MOLECULES
OPTICAL-PROPERTIES
DENSITY
FULLERENES
GA8AS8
RINGS
CAGES
Time-Dependent Approach to Resonance Raman Spectra Including Duschinsky Rotation and Herzberg-Teller Effects: Formalism and Its Realistic Applications
期刊论文
http://dx.doi.org/10.1021/ct300640c, 2012
Ma, Huili
;
Liu, Jie
;
Liang, WanZhen
;
梁万珍
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/07/22
DENSITY-FUNCTIONAL THEORY
TAMM-DANCOFF APPROXIMATION
FRANCK-CONDON PRINCIPLE
POLYATOMIC-MOLECULES
VIBRONIC TRANSITIONS
DYNAMICAL SYMMETRY
SCATTERING
ABSORPTION
SPECTROSCOPY
INTENSITIES
Theoretical study of medium-sized clusters of (Al2O3)(n) - From single cage to core-shell cage
期刊论文
http://dx.doi.org/10.1016/j.comptc.2011.11.051, 2012
Gu, YongBing
;
Di, Qiang
;
Lin, MengHai
;
Tan, Kai
;
林梦海
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2013/12/12
POLYATOMIC-MOLECULES
MAGNETIC-PROPERTIES
NANOPARTICLES
DENSITY
DFT study of cobalt porphyrin complex for living radical polymerization of olefins
期刊论文
computational and theoretical chemistry, 2012
Dong, Huilong
;
Hou, Tingjun
;
Zhao, Yaguang
;
Fu, Xuefeng
;
Li, Youyong
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/12
Cobalt complexes
Living radical polymerization
Bond dissociation energy
Transition state
DFT
POLYATOMIC-MOLECULES
ORGANIC RADICALS
CHAIN TRANSFER
VINYL-ACETATE
ACRYLATES
DENSITY
WATER
ACID
Acetone adsorption on ice investigated by X-ray spectroscopy and density functional theory
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 卷号: 13, 期号: 44, 页码: 19988
Starr, DE
;
Pan, D
;
Newberg, JT
;
Ammann, M
;
Wang, EG
;
Michaelides, A
;
Bluhm, H
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2013/09/17
INITIO MOLECULAR-DYNAMICS
GENERALIZED GRADIENT APPROXIMATION
SURFACE CHEMICAL-PROPERTIES
PLANE-WAVE METHOD
WALL FLOW-TUBE
PHOTOELECTRON-SPECTROSCOPY
AB-INITIO
ATMOSPHERIC CHEMISTRY
POLYATOMIC-MOLECULES
ABSORPTION SPECTRA
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