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1

Substituent Effect on N-Benzylideneanilines by DFT Energy Partition

Yan-Ping Ma, Peng Bao, Zhong-Heng Yu

Journal:

Chinese Journal of Chemistry

Year:

2007

Language:

english

File:

PDF, 173 KB

english, 2007

2

Theoretical studies on the role of π-electron delocalization in determining the conformation of N-benzylideneaniline with three types of LMO basis sets

Peng Bao, Zhong-Heng Yu

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 482 KB

english, 2006

3

New procedure to evaluate aromaticity at the density functional theory, Hartree–Fock, and post-self-consistent field levels

Peng Bao, Zhong-Heng Yu

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 274 KB

english, 2011

4

Intrinsic solution to the n-dimensional tensor equation ∑r = 1mUm − rXUr − 1 = C

Guo Zhong-heng, Li Jian-bo, Xiao Heng, Chen Yu-ming

Journal:

Computer Methods in Applied Mechanics and Engineering

Year:

1994

Language:

english

File:

PDF, 316 KB

english, 1994

5

Quantitative perturbational molecular orbital analysis of the conformational preference of the aniline molecule and its intramolecular force (II)

Journal:

Computers & Chemistry

Year:

1994

Language:

english

File:

PDF, 594 KB

english, 1994

6

The driving forces for distorting NBA-like species away from their planar geometries

Hong Xu, Zhong-Heng Yu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 350 KB

english, 2004

7

The difference in the degree of localization between the LFMO and NBO basis sets, and its effects on the energy partitions

Xiang-Wen Liu, Peng Bao, Yan-Ping Ma, Zhong-Heng Yu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 185 KB

english, 2005

8

DFT study on the reaction mechanisms of polyfluorosulfonate ester with F−

Li Guo, Zhong-Heng Yu, Shi-Zheng Zhu, Qing-Yun Chen

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 769 KB

english, 2005

9

Restricted geometry optimization for estimating stabilization energies of polycyclic aromatic hydrocarbons

Peng Bao, Zhong-Heng Yu

Journal:

Journal of Physical Organic Chemistry

Year:

2010

Language:

english

File:

PDF, 652 KB

english, 2010

10

An atomic interaction energy approach to the reactivity of the aromatic ring toward electrophilic attack

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 656 KB

english, 1995

11

The Hamiltonian structures of 3D ODE with time-independent invariants

Guo Zhong-heng, Chen Yu-ming

Journal:

Applied Mathematics and Mechanics

Year:

1995

Language:

english

File:

PDF, 240 KB

english, 1995

12

The π-electron delocalization is destabilizing in N-(phenylethenylidene) benzeneamine; a method of separating out the π and σ systems in its ketenimine fragment

Zhong-Heng Yu, Zheng-Qian Xuan

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1999

Language:

english

File:

PDF, 311 KB

english, 1999

13

Restricted Geometry Optimization: A Different Way To Estimate Stabilization Energies for Aromatic Molecules of Various Types

Bao, Peng, Yu, Zhong-Heng

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 339 KB

english, 2007

14

Conformations of Stilbene-like Species and New Method of Energy Partition

Yu, Zhong-Heng, Li, Lin-Tong, Fu, Wei, Li, Liang-Ping

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 224 KB

english, 1998

15

New Insight into the Nature of Electron Delocalization: the Driving Forces for Distorting the Geometry of Stilbene-Like Species

Yu, Zhong-Heng, Peng, Xiao-Qi

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 243 KB

english, 2001

16

A Novel Energy Partition for Gaining New Insight into Aromaticity and Conjugation

Yu, Zhong-Heng, Xuan, Zheng-Qian, Wang, Tong-Xin, Yu, Hai-Min

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 225 KB

english, 2000

17

Clustered repetitive transcranial magnetic stimulation for the prevention of depressive relapse/recurrence: a randomized controlled trial

Wang, Hua-Ning, Wang, Xiao-Xia, Zhang, Rui-Guo, Wang, Ying, Cai, Min, Zhang, Ya-Hong, Sun, Run-Zhu, Guo, Li, Qiao, Yu-Ting, Liu, Jun-Chang, He, Hong, Wang, Zhong-Heng, Wan, Yu-Chen, Tan, Qing-Rong, Zh

Journal:

Translational Psychiatry

Year:

2017

Language:

english

File:

PDF, 861 KB

english, 2017

18

Synthesis and Biological Evaluation of Lipophilic 1,4-Naphthoquinone Derivatives against Human Cancer Cell Lines

Wang, Shao-Hung, Lo, Chih-Yu, Gwo, Zhong-Heng, Lin, Hong-Jhih, Chen, Lih-Geeng, Kuo, Cheng-Deng, Wu, Jin-Yi

Journal:

Year:

2015

Language:

english

File:

PDF, 4.75 MB

english, 2015

19

Deep Learning Predicts Overall Survival of Patients With Unresectable Hepatocellular Carcinoma Treated by Transarterial Chemoembolization Plus Sorafenib

Zhang, Lei, Xia, Wei, Yan, Zhi-Ping, Sun, Jun-Hui, Zhong, Bin-Yan, Hou, Zhong-Heng, Yang, Min-Jie, Zhou, Guan-Hui, Wang, Wan-Sheng, Zhao, Xing-Yu, Jian, Jun-Ming, Huang, Peng, Zhang, Rui, Zhang, Shen,

Journal:

Frontiers in Oncology

Year:

2020

File:

PDF, 2.78 MB

2020