Zhong-zhi Yang: search on Z-Library

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1

Evaluation of a characteristic atomic radius by an ab initio method

Zhong-Zhi Yang, Ernest R. Davidson

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 169 KB

english, 1997

2

Atom-Bond Electronegativity Equalization Method and its Applications Based on Density Functional Theory

Yang, Zhong-Zhi, Wang, Chang-Sheng

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 398 KB

english, 2003

3

Oil recovery from refinery oily sludge using a rhamnolipid biosurfactant-producing Pseudomonas

Ping Yan, Mang Lu, Qin Yang, Hai-Ling Zhang, Zhong-Zhi Zhang, Rong Chen

Journal:

Bioresource Technology

Year:

2012

Language:

english

File:

PDF, 394 KB

english, 2012

4

Valence state parameters of all transition metal atoms in metalloproteins-development of ABEEMσπ fluctuating charge force field

Yang, Zhong-Zhi, Wang, Jian-Jiang, Zhao, Dong-Xia

Journal:

Journal of Computational Chemistry

Year:

2014

Language:

english

File:

PDF, 1.25 MB

english, 2014

5

Polarizable TIP7P Water Model with the Perturbation Charges Evaluated from ABEEM

Zhao, Chong-Li, Zhao, Dong-Xia, Jiang, Qian-Ying, Zhang, Hai-Xia, Li, Shenmin, Yang, Zhong-Zhi

Journal:

Journal of Physical Chemistry B

Year:

2020

Language:

english

File:

PDF, 725 KB

english, 2020

6

ABEEM/MM Models for OH-(H 2 O) n Clusters and Aqueous OH - : Structures, Charge Distributions, and Binding Energies

Shi, Hua, Gong, Lidong, Liu, Cui, Lu, Li-Nan, Yang, Zhong-Zhi

Journal:

Journal of Physical Chemistry A

Year:

2020

File:

PDF, 1.33 MB

2020

7

Morphological transition difference of linear and cyclic block copolymer with polymer blending in a selective solvent by combining dissipative particle dynamics and all-atom molecular dynamics simulations based on the ABEEM polarizable force field

Liu, Lin-Lin, Yang, Zhong-Zhi, Zhao, Dong-Xia, Gong, Li-Dong, Liu, Cui

Journal:

Year:

2014

Language:

english

File:

PDF, 716 KB

english, 2014

8

A scheme for calculating atomic charge distribution in large molecules based on density functional theory and electronegativity equalization

Zhong-zhi Yang, Er-zhong Shen, Lu-hong Wang

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 509 KB

english, 1994

9

σπ Scheme in Atom-bond Electronegativity Equalization Method

Yang, Zhong-Zhi, Cong, Yao, Zhao, Dong-Xia, Wang, Chang-Cheng, Bao, Xin-He

Journal:

Journal of the Chinese Chemical Society

Year:

2003

Language:

english

File:

PDF, 101 KB

english, 2003

10

Distribution and Characterization of Higher Chlorinated Benzenes in Outdoor Dust Collected from a Fast Developing City in North China

Zhong-Zhi Yang, Yong-Fang Li, Zhi-Chun Li, Yu-Mei Gu, Ya Zhu, Zhan-Jun Zhang

Journal:

Bulletin of Environmental Contamination and Toxicology

Year:

2011

Language:

english

File:

PDF, 184 KB

english, 2011

11

Pyridine-Based Electron Transport Materials with High Solubility, Excellent Film-Forming Ability and Wettability for Inkjet-Printed OLEDs

Wei, Changting, Zhuang, Jinyong, Zhang, Dongyu, Guo, Wenrui, Yang, Dongfang, Xie, Zhong-Zhi, Tang, Jian-Xin, Su, Wenming, Zeng, Haibo, Cui, Zheng

Journal:

ACS Applied Materials & Interfaces

Year:

2017

Language:

english

File:

PDF, 2.38 MB

english, 2017

12

Der Einfluß von Substituenten auf die Doppelbindungslokalisierung am Beispiel des s-Indacens

Prof. Dr. Edgar Heilbronner, Prof. Dr. Zhong-zhi Yang

Journal:

Angewandte Chemie

Year:

1987

Language:

german

File:

PDF, 352 KB

german, 1987

13

Dual body burdens of polychlorinated biphenyls and polybrominated diphenyl ethers among local residents in an e-waste recycling region in Southeast China

Xing-Ru Zhao, Zhan-Fen Qin, Zhong-Zhi Yang, Qian Zhao, Ya-Xian Zhao, Xiao-Fei Qin, Yong-Chuan Zhang, Xian-Li Ruan, Yin-Feng Zhang, Xiao-Bai Xu

Journal:

Year:

2010

Language:

english

File:

PDF, 536 KB

english, 2010

14

A software tool for visualization of molecular face (VMF) by improving marching cubes algorithm

Ma, Li, Zhao, Dong-Xia, Yang, Zhong-Zhi

Journal:

Computational and Theoretical Chemistry

Year:

2014

Language:

english

File:

PDF, 3.39 MB

english, 2014

15

Computational Study on the Reaction CH 2 CH 2 + F → CH 2 CHF + H

Zhang, Ming-Bo, Yang, Zhong-Zhi

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 305 KB

english, 2005

16

Study on structures and properties of ammonia clusters (NH[sub 3])[sub n] (n=1–5) and liquid ammonia in terms of ab initio method and atom-bond electronegativity equalization method ammonia-8P fluctuating charge potential model

Yu, Ling, Yang, Zhong-Zhi

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.24 MB

english, 2010

17

Hydration of Li[sup +]-ion in atom-bond electronegativity equalization method–7P water: A molecular dynamics simulation study

Li, Xin, Yang, Zhong-Zhi

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 434 KB

english, 2005

18

Analysis of bacterial diversity in two oil blocks from two low-permeability reservoirs with high salinities

Xiao, Meng, Sun, Shan-Shan, Zhang, Zhong-Zhi, Wang, Jun-Ming, Qiu, Long-Wei, Sun, Hua-Yang, Song, Zhao-Zheng, Zhang, Bei-Yu, Gao, De-Li, Zhang, Guang-Qing, Wu, Wei-Min

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 986 KB

english, 2016

19

The Structure and Phase Behavior of the Confined Water in Graphene Nanocapillaries Studied by an ABEEMσπ Polarizable Force Field

He, Lan-Lan, Li, Yan, Zhao, Dong-Xia, Yu, Ling, Zhao, Chong-Li, Lu, Li-Nan, Liu, Cui, Yang, Zhong-Zhi

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 1.65 MB

english, 2019

20

Investigation of Markovnikov reactions of alkenes via ABEEM-σπ model

Yan-Li Ding, Zhong-Zhi Yang

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 168 KB

english, 2010

21

Levels and distribution of polybrominated diphenyl ethers in various tissues of foraging hens from an electronic waste recycling area in South China

Shu-Xuan Liang, Qian Zhao, Zhan-Fen Qin, Xing-Ru Zhao, Zhong-Zhi Yang, Xiao-Bai Xu

Journal:

Environmental Toxicology and Chemistry

Year:

2008

Language:

english

File:

PDF, 98 KB

english, 2008

22

Calculation of molecular energies by atom-bond electronegativity equalization method

Chang-Sheng Wang, Li Shen-Min, Zhong-Zhi Yang

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 736 KB

english, 1998

23

The changing features of the molecular intrinsic characteristic contours of H2 molecule in the ground and first excited states calculated by an ab initio method

Dong-Xia Zhao, Zhong-Zhi Yang

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 795 KB

english, 2002

24

Development of the ABEEM σπ Polarization Force Field for Base Pairs with Amino Acid Residue Complexes

Liu, Cui, Li, Yue, Han, Bing-Yu, Gong, Li-Dong, Lu, Li-Nan, Yang, Zhong-Zhi, Zhao, Dong-Xia

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 1.53 MB

english, 2017

25

Lone-pair ionization energies of diazabicycloalkanes

Evi Honegger, Zhong-Zhi Yang, Edgar Heilbronner, Roger W. Alder, Richard E. Moss, Richard B. Sessions

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1985

Language:

english

File:

PDF, 287 KB

english, 1985

26

The molecular intrinsic characteristic contours (MICCs) of some small organic molecules

Li-Dong Gong, Dong-Xia Zhao, Zhong-Zhi Yang

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 485 KB

english, 2003

27

Local HSAB rationalization of diels–alder reactions by means of ab initio and ABEEMσπ methods: Stereoselectivity and reaction rate

Dong-Xia Zhao, Zhen-Zhen Xu, Zhong-Zhi Yang

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 914 KB

english, 2012

28

Polychlorinated biphenyl residues in sandstorm depositions in Beijing, China

Shan Fu, Zhong-Zhi Yang, Ke Li, Xiao-Bai Xu

Journal:

Year:

2008

Language:

english

File:

PDF, 657 KB

english, 2008

29

Studies of a mispaired DNA recognized by a rhodium intercalator based on the ABEEMσπ/MM method

Fang-Fang Wang, Dong-Xia Zhao, Zhong-Zhi Yang, Yong Jiao, Pin Yang

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 900 KB

english, 2011

30

Signal transducer and activator of transcription 3 (STAT3) homologue in turbot (Scophthalmus maximus): Molecular characterization and expression analysis

Na Wang, Chang-Geng Yang, Zhong-Zhi Sun, Xian-Li Wang, Song-Lin Chen

Journal:

Fish & Shellfish Immunology

Year:

2011

Language:

english

File:

PDF, 1.41 MB

english, 2011

31

Modeling Mechanisms of Unusual Benzene Imine N6 Adduct Formation in Carcinogenic Reactions of Arylnitrenium Ions with Adenosine

Qi, Shi-Fei, Yang, Zhong-Zhi

Journal:

Journal of Organic Chemistry

Year:

2007

Language:

english

File:

PDF, 216 KB

english, 2007

32

Atom–bond electronegativity equalization method. II. Lone-pair electron model

Wang, Chang-Sheng, Yang, Zhong-Zhi

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 433 KB

english, 1999

33

STUDY ON COMPLEXES OF TRYPSIN AND ITS INHIBITORS BY MEANS OF ATOM-BOND ELECTRONEGATIVITY EQUALIZATION METHOD FUSED INTO MOLECULAR MECHANICS (ABEEM/MM)

GUAN, QING-MEI, YANG, ZHONG-ZHI

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 462 KB

english, 2007

34

Revision and Improvement of Criterion on Traditional Chinese Medicines in Chinese Pharmacopoeia 2015

Dan, Yang, Qian, Zhong-zhi, Peng, Yong, Chen, Chang-qing, Liu, Yan-ze, Tai, Wen, Qi, Jing-wen

Journal:

Chinese Herbal Medicines

Year:

2016

Language:

english

File:

PDF, 555 KB

english, 2016

35

On strong limit theorems for general information sources with an application to AEP

Wang, Zhong-Zhi, Yang, Shan-Shan, Jiang, Hai-Feng, Ding, Fang-Qing

Journal:

Communication in Statistics- Theory and Methods

Year:

2019

Language:

english

File:

PDF, 1.20 MB

english, 2019

36

Alterations of fatty acid composition and metabolism in APP/PS1 transgenic mice

Bai, Yi-Ran, Wang, Ying-Ying, Meng, Dong-Li, Shi, Zhi-Li, Song, Xiang-Feng, Yang, Zhong-Zhi, Zhang, Wei, Yang, Lei, Shi, Ru-Ling

Journal:

Neuroscience Letters

Year:

2020

File:

PDF, 1.36 MB

2020

37

Direct evaluation of individual hydrogen bond energy in situ in intra- and intermolecular multiple hydrogen bonds system

Cui Liu, Dong-Xia Zhao, Zhong-Zhi Yang

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 861 KB

english, 2012

38

A characteristic molecular contour evaluated by a theoretical method

Zhong-Zhi Yang, Dong-Xia Zhao

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 119 KB

english, 1998

39

How the molecular face and the interaction vary as H atom approach H2molecule

Zhao, Dong-Xia, Yang, Zhong-Zhi

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2014

Language:

english

File:

PDF, 1.36 MB

english, 2014

40

ESTIMATION ON THE INTRAMOLECULAR 8- AND 12-MEMBERED RING N–H…O=C HYDROGEN BONDING ENERGIES IN β-PEPTIDES

ZHANG, YAN, WANG, CHANG-SHENG, YANG, ZHONG-ZHI

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 589 KB

english, 2009

41

MOLECULAR DYNAMICS STUDIES ON Fe 2+ , Co 2+ , AND Ni 2+ AQUEOUS SOLUTIONS BASED ON ABEEM/MM FLUCTUATING CHARGE MODEL

GUAN, QING-MEI, HAN, YAN, YANG, ZHONG-ZHI

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2008

Language:

english

File:

PDF, 277 KB

english, 2008

42

Simple wet-chemical strategy for large-scaled synthesis of snowflake-like PdAu alloy nanostructures as effective electrocatalysts of ethanol and ethylene glycol oxidation

Yang, Zhong-Zhi, Liu, Lei, Wang, Ai-Jun, Yuan, Junhua, Feng, Jiu-Ju, Xu, Quan-Qing

Journal:

International Journal of Hydrogen Energy

Year:

2016

Language:

english

File:

PDF, 2.42 MB

english, 2016

43

Insight into Markovnikov Reactions of Alkenes in Terms of Ab Initio and Molecular Face Theory

Zhong-Zhi Yang, Yan-Li Ding, Dong-Xia Zhao

Journal:

Year:

2008

Language:

english

File:

PDF, 594 KB

english, 2008

44

Electronic structure and photoelectron spectrum assignment of allene

Zhi-Zhong Wang, Ming Yang, Zhong-Zhi Yang

Journal:

Chinese Journal of Chemistry

Year:

1993

Language:

english

File:

PDF, 285 KB

english, 1993

45

Ab initio and density functional theory study on the geometries, energies, and vibrational spectra of the conformations of 3-methyl-3-penten-2-one

Shucheng Xu, Chengdong Wang, Guohe Sha, Jinchun Xie, Zhong-Zhi Yang

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1999

Language:

english

File:

PDF, 188 KB

english, 1999

46

Search of the conformations of Val-dipeptide and Val-tripeptide by ab initio method and ABEEMσπ polarizable force field

Xu, Shuang, Zhao, Dong-xia, Gong, Li-dong, Liu, Cui, Yang, Zhong-Zhi

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 1.18 MB

english, 2015

47

Calculating solvation energies by means of a fluctuating charge model combined with continuum solvent model

Zhao, Dong-Xia, Yu, Ling, Gong, Li-Dong, Liu, Cui, Yang, Zhong-Zhi

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 529 KB

english, 2011

48

Investigation of the molecular surface area and volume: Defined and calculated by the molecular face theory

Li-Dong Gong, Zhong-Zhi Yang

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 469 KB

english, 2010

49

Theoretical studies on the hydration of formic acid by ab initio and ABEEMσπ fluctuating charge model

Shu-Ling Chen, Dong-Xia Zhao, Li-Dong Gong, Zhong-Zhi Yang

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2010

Language:

english

File:

PDF, 497 KB

english, 2010

50

Mg2+/Ca2+binding to DNA bases: a quantum chemical method and ABEEMσπ/MM fluctuating charge model study

Chun-Yang Yu, Yang Yu, Li-Dong Gong, Zhong-Zhi Yang

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2012

Language:

english

File:

PDF, 873 KB

english, 2012

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