Citation: Xia Du, Dong-Xia Zhao, Zhong-Zhi Yang. Quick estimation of the D_pb for predicting the strength of chemical bond in situ[J]. Chinese Chemical Letters, ;2013, 24(10): 912-916. shu

Quick estimation of the D_pb for predicting the strength of chemical bond in situ

1.
Chemistry and Chemical Engineering Faculty, Liaoning Normal University, Dalian 116029, China

Corresponding author: Dong-Xia Zhao,
Received Date: 23 May 2013
Available Online: 5 June 2013
Fund Project:

An approximate method has been established to calculate the depth of the potential acting on an electron in a molecule at the saddle point along a chemical bond, denoted by D_pb. It is a new indicator which can be used for predicting the strength of a chemical bond. In this work, as a practical application for demonstrating thismethod, we calculated the D_pb of deoxyribonucleosides and ribonucleosides along all C-H and N-H chemical bonds using the method. The results are in fair agreement with those results of previously reported experimental and theoretical observations.
- Bond strength,
- D_pb,
- Deoxyribouncleosides,
- Ribonucleosides
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通讯作者: 陈斌, bchen63@163.com

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沈阳化工大学材料科学与工程学院沈阳 110142

Quick estimation of the Dpb for predicting the strength of chemical bond in situ

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通讯作者: 陈斌, bchen63@163.com

Quick estimation of the D_pb for predicting the strength of chemical bond in situ