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您的足迹:
adf:nocv_adf
这是本文档旧的修订版!
ETS-NOCV功能案例:开壳层、闭壳层、环状结构
使用该功能发表的代表性工作:
使用ETS-NOCV研究MAO表面活化、成键相互作用
ETS-NOCV description of σ-hole bonding
Theoretical description of halogen bonding – an insight based on the natural orbitals for chemical valence combined with the extended-transition-state method (ETS-NOCV)
Substituted naphthalenes: Stability, conformational flexibility and description of bonding based on ETS-NOCV method
Metal-interacted histidine dimer: an ETS-NOCV and XANES study
Spin-resolved NOCV analysis of the zeolite framework influence on the interaction of NO with Cu(I/II) sites in zeolites|Spin-resolved NOCV analysis of the zeolite framework influence on the interaction of NO with Cu(I/II) sites in zeolites
QTAIM and ETS-NOCV Analyses of Intramolecular CH···HC Interactions in Metal Complexes
Bonding in Ammonia Borane: An Analysis Based on the Natural Orbitals for Chemical Valence and the Extended Transition State Method (ETS-NOCV)
Physical Nature of Interactions in ZnII Complexes with 2,2′-Bipyridyl: Quantum Theory of Atoms in Molecules (QTAIM), Interacting Quantum Atoms (IQA), Noncovalent Interactions (NCI), and Extended Transition State Coupled with Natural Orbitals for Chemical Valence (ETS-NOCV) Comparative Studies
Bond-strengthening π backdonation in a transition-metal π-diborene complex(NATURE CHEMISTRY)
中文教程如下:
ETS-NOCV-HCN
ETS-NOCV-HCN-ChargedFrag
ETS-NOCV-Cycloaddition
adf/nocv_adf.1476262684.txt.gz
· 最后更改: 2016/10/12 16:58 由
liu.jun
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