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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

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

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

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

5

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

6

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

7

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

8

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

9

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

10

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

11

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

12

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

13

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

14

The Influence of Substituents on Double-Bond Localization, e.g. in s-Indacene

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

Journal:

Angewandte Chemie International Edition

Year:

1987

Language:

english

File:

PDF, 337 KB

english, 1987

15

Theoretical Study on Co3+ in Aqueous Solution in Terms of ABEEM/MM Model

Qing-Mei Guan, Zhong-Zhi Yang

Journal:

Chinese Journal of Chemistry

Year:

2007

Language:

english

File:

PDF, 145 KB

english, 2007

16

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

17

The Photoelectron Spectra of 4, 13-Diaza- and 4, 16-Diaza [24] (1,2,4,5)cyclophanes

Yang Zhong-zhi, Edgar Heilbronner, Hee Chol Kang, Virgil Boekelheide

Journal:

Helvetica Chimica Acta

Year:

1981

Language:

english

File:

PDF, 340 KB

english, 1981

18

Ionization Energies of Methyl-substituted[2.2]Paracyclophanes

Yang Zhong-zhi, Branka Kovač, Edgar Heilbronner, Sayed Eltamany, Henning Hopf

Journal:

Helvetica Chimica Acta

Year:

1981

Language:

english

File:

PDF, 532 KB

english, 1981

19

Photoelectron-Spectroscopic Characterization of 3,4-Dimethyl-2,4-hexadienes

Evi Honegger, Yang Zhong-zhi, Edgar Heilbronner, William V. E. Doering, John C, Schmidhauser

Journal:

Helvetica Chimica Acta

Year:

1984

Language:

english

File:

PDF, 709 KB

english, 1984

20

Data bank: The PE Spectra of Paracyclophanes with Unsaturated Bridges and of Related Molecules

Zhong-Zhi Yang, Branka Kovač, Edgar Heilbronner, Jacques Lecoultre, Chin Wing Chan, Henry N. C. Wong, Henning Hopf, Fritz Vögtle

Journal:

Helvetica Chimica Acta

Year:

1987

Language:

english

File:

PDF, 363 KB

english, 1987

21

‘Face-to-Face’-Benzo-anellierte homologe Hypostrophene. Synthesen, Röntgenstrukturanalysen und PE-Spektren

Wolf-Dieter Fessner, Gottfried Sedelmeier, Lothar Knothe, Horst Prinzbach, Grety Rihs, Zhong-Zhi Yang, Branka Kovač, Edgar Heilbronner

Journal:

Helvetica Chimica Acta

Year:

1987

Language:

german

File:

PDF, 1.63 MB

german, 1987

22

Method and algorithm of obtaining the molecular intrinsic characteristic contours (MICCs) of organic molecules

Zhong-Zhi Yang, Li-Dong Gong, Dong-Xia Zhao, Ming-Bo Zhang

Journal:

Journal of Computational Chemistry

Year:

2005

Language:

english

File:

PDF, 353 KB

english, 2005

23

Study of peptide conformation in terms of the ABEEM/MM method

Zhong-Zhi Yang, Qiang Zhang

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 180 KB

english, 2006

24

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

25

An estimation method of binding free energy in terms of ABEEMσπ/MM and continuum electrostatics fused into LIE method

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

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 809 KB

english, 2011

26

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

27

The He(Iα) PE spectra of cyclophanes containing a cyclooctatetraene ring

Yang Zhong-Zhi, Edgar Heilbronner, Virgil Boekelheide, James Garbe

Journal:

International Journal of Mass Spectrometry and Ion Processes

Year:

1984

Language:

english

File:

PDF, 557 KB

english, 1984

28

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

29

On convergence conditions of waveform relaxation methods for linear differential-algebraic equations

Zhong-Zhi Bai, Xi Yang

Journal:

Journal of Computational and Applied Mathematics

Year:

2011

Language:

english

File:

PDF, 429 KB

english, 2011

30

Evidence of direct formation of C8 adducts in carcinogenic reactions of arylnitrenium ions with purine nucleosides: Theoretical study of C8 deprotonation process

Shi-Fei Qi, Xiao-Nan Wang, Zhong-Zhi Yang, Xiao-Hong Xu

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 1013 KB

english, 2011

31

Theoretical study of hydrogen peroxide interacting with DNA base and DNA base pair in terms of ab initio method and ABEEMσπ/MM fluctuating charge potential model

Chun-Yang Yu, Zhong-Zhi Yang

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 1.81 MB

english, 2011

32

An investigation of alkane conformations based on the ABEEM/MM model

Qiang Zhang, Zhong-Zhi Yang

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 130 KB

english, 2005

33

On semi-convergence of parameterized Uzawa methods for singular saddle point problems

Bing Zheng, Zhong-Zhi Bai, Xi Yang

Journal:

Linear Algebra and its Applications

Year:

2009

Language:

english

File:

PDF, 157 KB

english, 2009

34

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

35

Investigation of the regio- and stereoselectivity of Diels–Alder reactions by newly developed ABEEM σπ model on the basis of local HSAB principle and maximum hardness principle

Yao Cong, Zhong-Zhi Yang, Chang-Sheng Wang, Xian-Chun Liu, Xin-He Bao

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 126 KB

english, 2002

36

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

37

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

38

Tautomerism and the maximum hardness principle

Yi-Liang Zhang, Zhong-Zhi Yang

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 328 KB

english, 2006

39

Insight into Markovnikov regioselectivity rule via molecular face and ABEEM-σπ theory

Yan-Li Ding, Ji-Rong Mu, Chun-Hui Wang, Zhong-Zhi Yang

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 333 KB

english, 2011

40

Spatial Characteristics and Major Sources of Polycyclic Aromatic Hydrocarbons from Soil and Respirable Particulate Matter in a Mega-City, China

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

Journal:

Bulletin of Environmental Contamination and Toxicology

Year:

2010

Language:

english

File:

PDF, 305 KB

english, 2010

41

Special Distribution of Polybrominated Diphenyl Ethers in Brain Tissues of Free-range Domestic Hens and Ducks from a Village near an Electronic Waste Recycling Site in South China

Zhong-Zhi Yang, Yong-Fang Li, Shan Fu, Xing-Ru Zhao

Journal:

Bulletin of Environmental Contamination and Toxicology

Year:

2011

Language:

english

File:

PDF, 306 KB

english, 2011

42

Study of water clusters in then

Ping Qian, Li-nan Lu, Wei Song, Zhong-zhi Yang

Journal:

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

Year:

2009

Language:

english

File:

PDF, 894 KB

english, 2009

43

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

44

Uniqueness and asymptotic behavior of the local kinetic energy

Zhong-Zhi Yang, Shubin Liu, Yan Alexander Wang

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 415 KB

english, 1996

45

On HSS-based iteration methods for weakly nonlinear systems

Zhong-Zhi Bai, Xi Yang

Journal:

Applied Numerical Mathematics

Year:

2009

Language:

english

File:

PDF, 252 KB

english, 2009

46

Theoretical studies of uracil–(H2O)n (n = 1–7) clusters by ab initio and ABEEMσπ/MM fluctuating charge model

Fang-Fang Wang, Dong-Xia Zhao, Zhong-Zhi Yang

Journal:

Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.39 MB

english, 2009

47

Calculation of the linear response function by the atom–bond electronegativity equalization method (ABEEM)

Chang-Sheng Wang, Dong-Xia Zhao, Zhong-Zhi Yang

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 136 KB

english, 2000

48

General atom-bond electronegativity equalization method and its application in prediction of charge distributions in polypeptide

Yao Cong, Zhong-Zhi Yang

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 103 KB

english, 2000

49

Ion Solvation in Water from Molecular Dynamics Simulation with the ABEEM/MM Force Field

Yang, Zhong-Zhi, Li, Xin

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 61 KB

english, 2005

50

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