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厦门大学 [9]
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期刊论文 [40]
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Physics [1]
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Complexation of Ln(3+) with Pyridine-2,6-dicarboxamide: Formation of the 1:2 Complexes in Solution and Gas Phase
期刊论文
INORGANIC CHEMISTRY, 2020, 卷号: 59, 期号: 19, 页码: 14486-14492
作者:
Chen, XT
;
Xiong, ZX
;
Gong, Y
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2021/09/06
MOLECULAR-ORBITAL METHODS
CHARGED METAL-IONS
PHOTOPHYSICAL PROPERTIES
LANTHANIDE COMPLEXES
MASS-SPECTROMETRY
CRYSTAL-STRUCTURE
BASIS-SETS
COORDINATION
EXTRACTION
CHEMISTRY
Coordination Structures of the Uranyl(VI)-Diamide Complexes: A Combined Mass Spectrometric, EXAFS Spectroscopic, and Theoretical Study
期刊论文
INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 9, 页码: 5695—5702
作者:
Chen, XT
;
Li, QN
;
Gong, Y
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  |  
浏览/下载:24/0
  |  
提交时间:2019/12/30
MOLECULAR-ORBITAL METHODS
URANYL-NITRATE
DIGLYCOLAMIDE COMPLEXES
SOLVENT-EXTRACTION
CHEMISTRY
URANIUM
LIGANDS
ION
AM
LANTHANUM(III)
Tetrapositive Hafnium-Diamide Complexes in the Gas Phase: Formation, Structure and Reaction
期刊论文
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 2019, 卷号: 30, 期号: 12, 页码: 2623-2631
作者:
Chen, XT
;
Gong, Y
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  |  
浏览/下载:30/0
  |  
提交时间:2020/10/16
MOLECULAR-ORBITAL METHODS
MULTIPLY-CHARGED IONS
METAL TRICATIONS
BASIS-SETS
COORDINATION
CHEMISTRY
DISSOCIATION
STABILITY
ZIRCONIUM
ELEMENTS
Reaction of Aldehydes/Ketones with Electron-Deficient 1,3,5-Triazines Leading to Functionalized Pyrimidines as Diels-Alder/Retro-Diels-Alder Reaction Products: Reaction Development and Mechanistic Studies
期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2017
Yang, Kai
;
Dang, Qun
;
Cai, Pei-Jun
;
Gao, Yang
;
Yu, Zhi-Xiang
;
Bai, Xu
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  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
MOLECULAR-ORBITAL METHODS
GAUSSIAN-BASIS SETS
(-)-PYRIMIDOBLAMIC ACID
1,2,4-TRIAZINES
CYCLOADDITIONS
PYRIDAZINES
ANNULATION
ENAMINES
DENSITY
KETONES
Coordination Structure and Fragmentation Chemistry of the Tripositive Lanthanide-Thio-Diglycolamide Complexes
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 49, 页码: 9429-9434
作者:
Chen, XT
;
Li, QN
;
Gong, Y
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  |  
浏览/下载:19/0
  |  
提交时间:2019/12/17
MOLECULAR-ORBITAL METHODS
BASIS-SETS
NITRATE COMPLEXATION
ACTINIDE SEPARATIONS
SOLVENT-EXTRACTION
METAL-ION
DISSOCIATION
ELEMENTS
LIGANDS
AM
Dynamical Correlation Effects on Photoisomerization: Ab Initio Multiple Spawning Dynamics with MS-CASPT2 for a Model trans-Protonated Schiff Base
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016
Liu, Lihong
;
Liu, Jian
;
Martinez, Todd J.
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  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
POTENTIAL-ENERGY SURFACES
EXCITED-STATE DYNAMICS
MULTICONFIGURATIONAL PERTURBATION-THEORY
RETINAL CHROMOPHORE MODEL
DENSITY-FUNCTIONAL THEORY
MOLECULAR-ORBITAL METHODS
MOTION COUPLED-CLUSTER
CONICAL INTERSECTIONS
PENTADIENIMINIUM CATION
QUANTUM-CHEMISTRY
Computational Exploration of Rh-III/Rh-V and Rh-III/Rh-I Catalysis in Rhodium(III)-Catalyzed C-H Activation Reactions of N-Phenoxyacetamides with Alkynes
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2016
Yang, Yun-Fang
;
Houk, K. N.
;
Wu, Yun-Dong
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
CONCERTED METALATION-DEPROTONATION
AB-INITIO PSEUDOPOTENTIALS
MOLECULAR-ORBITAL METHODS
EFFECTIVE CORE POTENTIALS
INTERNAL OXIDANT
BOND ACTIVATION
TRANSITION-ELEMENTS
POLARIZATION FUNCTIONS
REDUCTIVE ELIMINATION
NITROGEN-SOURCE
A Combined IM-MS/DFT Study on [Pd( MPAA)]-Catalyzed Enantioselective C-H Activation: Relay of Chirality through a Rigid Framework
期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2015
Cheng, Gui-Juan
;
Chen, Ping
;
Sun, Tian-Yu
;
Zhang, Xinhao
;
Yu, Jin-Quan
;
Wu, Yun-Dong
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2017/12/03
amino acids
asymmetric catalysis
C-H activation
density functional calculations
enantioselectivity
mass spectrometry
MOBILITY-MASS-SPECTROMETRY
CARBON-HYDROGEN BONDS
CATALYZED INTRAMOLECULAR ARYLATION
PROTON-ABSTRACTION MECHANISM
AB-INITIO PSEUDOPOTENTIALS
MOLECULAR-ORBITAL METHODS
EFFECTIVE CORE POTENTIALS
ALPHA-AMINO-ACIDS
TRANSITION-ELEMENTS
POLARIZATION FUNCTIONS
Mechanism, Reactivity, and Selectivity in Rh(III)-Catalyzed Phosphoryl-Directed Oxidative C-H Activation/Cyclization: A DFT Study
期刊论文
http://dx.doi.org/10.1021/jo500616g, 2014
Liu, Liu
;
Wu, Yile
;
Wang, Tao
;
Gao, Xiang
;
Zhu, Jun
;
Zhao, Yufen
;
汪涛
;
朱军
;
赵玉芬
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/07/22
MOLECULAR-ORBITAL METHODS
DENSITY-FUNCTIONAL THEORY
GAUSSIAN-TYPE BASIS
CATALYZED INTRAMOLECULAR ARYLATION
PROTON-ABSTRACTION MECHANISM
POTENTIAL BASIS-SETS
ONE-POT SYNTHESIS
BOND ACTIVATION
POLARIZATION FUNCTIONS
ROOM-TEMPERATURE
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