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51

Insight into Mechanism of Formation of C8 Adducts in Carcinogenic Reactions of Arylnitrenium Ions with Purine Nucleosides

Yang, Zhong-Zhi, Qi, Shi-Fei, Zhao, Dong-Xia, Gong, Li-Dong

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 198 KB

english, 2009

52

Some generalized limit theorems concerning delayed sums of random sequence

Zhong-zhi Wang, Wei-guo Yang, Zhi-yan Shi

Journal:

Applied Mathematics-A Journal of Chinese Universities

Year:

2013

Language:

english

File:

PDF, 159 KB

english, 2013

53

Synthesis, Structure and Spectra of a Binuclear Sm(III) Complex: [Sm 2 (phen) 2 (C 6 H 5 COO) 4 (CH 3 COO) 2 ]

Niu, Shu-Yun, Jin, Jing, Yang, Zhong-Zhi, Yang, Guang-Di, Bu, Wei-Min, Yie, Ling

Journal:

Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry

Year:

2000

Language:

english

File:

PDF, 450 KB

english, 2000

54

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

File:

PDF, 1.20 MB

2019

55

The Relations of Bond Length and Force Constant with the Potential Acting on an Electron in a Molecule

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

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 160 KB

english, 2005

56

A theoretical study on mechanism of the anticancer drug camptothecin's E-ring-opening

Zou, Hui-Yuan, Zhao, Dong-Xia, Yang, Zhong-Zhi

Journal:

Journal of Molecular Graphics and Modelling

Year:

2013

Language:

english

File:

PDF, 1.28 MB

english, 2013

57

Mechanism of Direct Conversion between C8 Adducts and N7 Adducts in Carcinogenic Reactions of Arylnitrenium Ions with Purine Nucleosides: A Theoretical Study

Yang, Zhong-Zhi, Qi, Shi-Fei

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 140 KB

english, 2007

58

Study on properties of liquid ammonia via molecular dynamics simulation based on ABEEMσπ polarisable force field

He, Lan-Lan, Zhang, Shi-Yuan, Sun, Ting-Ting, Zhao, Chong-Li, Zhang, Chao, Yang, Zhong-Zhi, Zhao, Dong-Xia

Journal:

Molecular Simulation

Year:

2017

Language:

english

File:

PDF, 1.70 MB

english, 2017

59

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

60

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

61

Protective effect of autophagy inhibition on ischemia-reperfusioninduced injury of N2a cells

Wang, Zhong-qiang, Yang, Yi, Lu, Tao, Luo, Pan, Li, Jin, Wu, Jun-ping, Tang, Zhong-zhi, Lu, Qi-ping, Duan, Qiu-hong

Journal:

Journal of Huazhong University of Science and Technology -- Medical Sciences --

Year:

2013

Language:

english

File:

PDF, 768 KB

english, 2013

62

Preparation of TiO2/Silicalite-2@CoFe2O4Magnetic Composites and Evaluation of their Photocatalytic Activity in Cr(VI) Removal

Lu, Mang, Cheng, Yue, Pan, Shun-long, Yang, Ting-ling, Zhang, Zhong-zhi

Journal:

Water, Air & Soil Pollution

Year:

2015

Language:

english

File:

PDF, 1.37 MB

english, 2015

63

Combination of fluvastatin and losartan relieves atherosclerosis and macrophage infiltration in atherosclerotic plaques in rabbits

Yang, Ya-pei, Dong, Qiu-li, Zhang, Xu-hong, Zhang, Yue-hui, Zhu, Li, Li, Shu-ying, Liu, Zhong-zhi, Xu, Hui, Wang, Nan, Jiang, Hong, Liu, Chun-xi, Liu, Xian-xi, Dong, Bo

Journal:

Acta Pharmacologica Sinica

Year:

2011

Language:

english

File:

PDF, 5.39 MB

english, 2011

64

Partitioning a Molecule into the Atomic Basins and the Resultant Atomic Charges from QCT Analysis of the KohnâSham Potential

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

Journal:

Journal of Physical Chemistry A

Year:

2020

File:

PDF, 711 KB

2020

65

Polarization and bonding of the intrinsic characteristic contours of hydrogen and fluorine atoms of forming a hydrogen fluoride molecule based on an ab initio study

Yang, Zhong-Zhi, Zhao, Dong-Xia, Wu, Yang

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 592 KB

english, 2004

66

4,6-Dichloro-5-(2-methoxyphenoxy)-2,2′-bipyrimidine

Ren, Tian-tian, Zhang, Zhong, Zhong, Cong-cong, Yang, Zhong-zhi, Shi, Zhan-wang

Journal:

Acta Crystallographica Section E Structure Reports Online

Year:

2011

Language:

english

File:

PDF, 526 KB

english, 2011

67

Fast calculation of molecular total energy with ABEEMσπ/MM method – For some series of organic molecules and peptides

Yang, Zhong-Zhi, Lin, Xiao-Ting, Zhao, Dong-Xia

Journal:

Chemical Physics

Year:

2016

Language:

english

File:

PDF, 686 KB

english, 2016

68

The open-cubane oxo-oxyl coupling mechanism dominates photosynthetic oxygen evolution: A comprehensive DFT investigation on O-O bond formation in the S 4 state

Guo, Yu, Li, Hui, He, Lan-Lan, Zhao, Dong-Xia, Gong, Li-Dong, Yang, Zhong-Zhi

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.27 MB

english, 2017

69

A model of atoms in molecules based on potential acting on one electron in a molecule: I. Partition and atomic charges obtained from ab initio calculations

Zhao, Dong-Xia, Zhao, Jian, Zhu, Zun-Wei, Zhang, Chao, Yang, Zhong-Zhi

Journal:

International Journal of Quantum Chemistry

Year:

2018

Language:

english

File:

PDF, 1.84 MB

english, 2018

70

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

File:

PDF, 1.65 MB

2019

71

ABEEMσπ FLUCTUATING CHARGE FORCE FIELD APPLIED TO ALANINE DIPEPTIDE AND ALANINE DIPEPTIDE–WATER SYSTEMS

LIU, CUI, ZHAO, DONG-XIA, YANG, ZHONG-ZHI

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 436 KB

english, 2010

72

A Systemic Investigation of Hydrogen Peroxide Clusters (H 2 O 2 ) n ( n = 1−6) and Liquid-State Hydrogen Peroxide: Based on Atom-Bond Electronegativity Equalization Method Fused into Molecular Mechanics and Molecular Dynamics

Yu, Chun-Yang, Yang, Zhong-Zhi

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.60 MB

english, 2011

73

Theoretical Exploration of the Potential and Force Acting on One Electron within a Molecule

Zhao, Dong-Xia, Yang, Zhong-Zhi

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.62 MB

english, 2014

74

ABEEM/MM-BASED PAIR POTENTIAL FOR MOLECULAR DYNAMICS SIMULATION OF Fe 2+ (aq) AND Fe 3+ (aq)

LI, XIN, YANG, ZHONG-ZHI

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 391 KB

english, 2006

75

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

76

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

77

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

78

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

79

Molecular dynamics simulations of N -methylacetamide (NMA) in water by the ABEEM/MM model

Qian, Ping, Lu, Li-Nan, Yang, Zhong-Zhi

Journal:

Canadian Journal of Chemistry

Year:

2009

File:

PDF, 246 KB

2009

80

AN AB INITIO STUDY OF PROTON-TRANSFER REACTION IN Be 2+ (H 2 O) n AND THE SPATIAL CHANGING FEATURE IN THE FORMATION PROCESS OF HYDROXIDE

LI, XIN, YANG, ZHONG-ZHI

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 374 KB

english, 2006

81

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

82

Continuous-time accelerated block successive overrelaxation methods for time-dependent Stokes equations

Zhong-Zhi Bai, Xi Yang

Journal:

Journal of Computational and Applied Mathematics

Year:

2012

Language:

english

File:

PDF, 628 KB

english, 2012

83

Occurrence of Higher Chlorinated Benzenes in Livers of Grass Carp and Common Carp Collected from Markets of Xinxiang, China

Li, Yong-Fang, Yang, Zhong-Zhi, Fan, Jing, Zhu, Yong

Journal:

Bulletin of Environmental Contamination and Toxicology

Year:

2013

Language:

english

File:

PDF, 185 KB

english, 2013

84

Investigation of the distinction between van der Waals interaction and chemical bonding based on the PAEM-MO diagram

Zhao, Dong-Xia, Yang, Zhong-Zhi

Journal:

Journal of Computational Chemistry

Year:

2014

Language:

english

File:

PDF, 1.22 MB

english, 2014

85

STUDIES ON NUCLEOPHILIC SUBSTITUTION REACTIONS AT CARBON (S N 2(C)) AND SILICON (S N 2(Si)) IN TERMS OF AB INITIO , POTENTIAL, ACTING ON AN ELECTRON IN A MOLECULE AND MOLECULAR FACE THEORY

DING, YAN-LI, GONG, LI-DONG, ZHAO, DONG-XIA, ZHANG, MING-BO, YANG, ZHONG-ZHI

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 962 KB

english, 2009

86

[IEEE 2008 International Conference on Machine Learning and Cybernetics (ICMLC) - Kunming, China (2008.07.12-2008.07.15)] 2008 International Conference on Machine Learning and Cybernetics - Research of pattern feature extraction and selection

Shi-Fei Ding,, Wei-Kuan Jia,, Chun-Yang Su,, Zhong-Zhi Shi,

Year:

2008

Language:

english

File:

PDF, 318 KB

english, 2008

87

A Seven-Site Effective Pair Potential for Simulating Liquid Water

Zhao, Chong-Li, Zhao, Dong-Xia, Bei, Cui-Cui, Meng, Xiang-Na, Li, Shenmin, Yang, Zhong-Zhi

Journal:

Journal of Physical Chemistry B

Year:

2019

File:

PDF, 455 KB

2019

88

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

89

‘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

90

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

91

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

92

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

93

Some Limit Theorems for Delayed Sums of Dependent Random Sequence

Wang Zhong-zhi, Yang Wei-guo

Journal:

Mediterranean Journal of Mathematics

Year:

2012

Language:

english

File:

PDF, 266 KB

english, 2012

94

Development of a Polarizable Force Field Using Multiple Fluctuating Charges per Atom

Zhao, Dong-Xia, Liu, Cui, Wang, Fang-Fang, Yu, Chun-Yang, Gong, Li-Dong, Liu, Shu-Bin, Yang, Zhong-Zhi

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 1.51 MB

english, 2010

95

Development of ABEEMσπpolarizable force field for oxidized adenine base pairs: investigation of the interaction and mutagenic mechanism

Liu, Cui, Wang, Yang, Zhao, Dong-xia, Gong, Li-dong, Yang, Zhong-zhi

Journal:

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

Year:

2014

Language:

english

File:

PDF, 1.19 MB

english, 2014

96

Reaction mechanism of NO with hydrolysates of NAMI-A: an MD simulation by combining the QM/MM(ABEEM) with the MD-FEP method

Li, Hui, Wang, Di, Zhao, Xin, Lu, Li-Nan, Liu, Cui, Gong, Li-Dong, Zhao, Dong-Xia, Yang, Zhong-Zhi

Journal:

Journal of Computational Chemistry

Year:

2018

Language:

english

File:

PDF, 2.16 MB

english, 2018

97

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

98

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

99

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

100

Development of a method to accurately calculate the Dpb and quickly predict the strength of a chemical bond

Du, Xia, Zhao, Dong-Xia, Yang, Zhong-Zhi

Journal:

Chemical Physics

Year:

2013

Language:

english

File:

PDF, 880 KB

english, 2013

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