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1

Quantum study on photophysical and photochemical process of a new photosensitizer: hypomycin B

De-Zhan Chen, Dao-Ping Wang, De-Xin Kong, Xiao Zhang

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

2005

Language:

english

File:

PDF, 262 KB

english, 2005

2

DFT study on two isomers of molecule C24H16: Two hexaprismanes linked by four carbon–carbon single bonds

Zhen Wang, Jing Zhang, De-zhan Chen

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 288 KB

english, 2007

3

Why Static Molecular Parameters Cannot Characterize the Free Radical Scavenging Activity of Phenolic Antioxidants

Hong-Yu Zhang, You-Min Sun, Gui-Qiu Zhang, De-Zhan Chen

Journal:

Molecular Informatics

Year:

2000

Language:

english

File:

PDF, 96 KB

english, 2000

4

Theoretical Elucidation of Structure-Antioxidant Activity Relationships for Thiazolidinone Derivatives

You-Min Sun, Xiu-Li Wang, Hong-Yu Zhang, De-Zhan Chen

Journal:

Molecular Informatics

Year:

2001

Language:

english

File:

PDF, 95 KB

english, 2001

5

O–H Bond Dissociation Energies of Phenolic Compounds are Determined by Field/Inductive Effect or Resonance Effect?A DFT Study and Its Implication

Hong-Yu Zhang, You-Min Sun, De-Zhan Chen

Journal:

Molecular Informatics

Year:

2001

Language:

english

File:

PDF, 289 KB

english, 2001

6

Evaluation of a Combined Quantum Chemical Method Used in Calculating OH Bond Dissociation Enthalpy

You-Min Sun, Hong-Yu Zhang, De-Zhan Chen

Journal:

Chinese Journal of Chemistry

Year:

2001

Language:

english

File:

PDF, 355 KB

english, 2001

7

Optical Absorption Property and Photo-catalytic Activity of Tin Dioxide-doped Titanium Dioxides

Huai-Xiang LI, Rong-Hua XIA, Zheng-Wei JIANG, Shan-Shan CHEN, De-Zhan CHEN

Journal:

Chinese Journal of Chemistry

Year:

2008

Language:

english

File:

PDF, 161 KB

english, 2008

8

Theoretical study on geometric electronic structures and absorption wavelengths of closed-ring isomers of diarylmaleic anhydrides

De-Zhan Chen, Zhen Wang, Xue Zhao, Zhaoling Hao

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 226 KB

english, 2006

9

Theoretical study on proton tautomerism of chryosphanol and its analogues in the ground and excited states

Xue Zhao, De-Zhan Chen

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 195 KB

english, 2007

10

Theoretical study on the ground and excited state intramolecular proton transfer in perylenequinone

De-Zhan Chen, Dao-Ping Wang, Hong-Yu Zhang, Bo Tang

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 367 KB

english, 2002

11

Mechanism for intramolecular proton transfer involving hypericin

Hong-Yu Zhang, De-Zhan Chen

Journal:

Dyes and Pigments

Year:

2000

Language:

english

File:

PDF, 147 KB

english, 2000

12

Theoretical study on intramolecular hydrogen transfer involving amino-substituted perylenequinone

Wei Liu, Hong-Yu Zhang, De-Zhan Chen, Zhi-Yi Zhang *, Man-Hua Zhang

Journal:

Dyes and Pigments

Year:

2000

Language:

english

File:

PDF, 200 KB

english, 2000

13

Intramolecular H-bonding in the bay region of hypericin: an AM1 study

Dao-Ping Wang, De-Xin Kong, De-Zhan Chen, Hong-Yu Zhang

Journal:

Dyes and Pigments

Year:

2001

Language:

english

File:

PDF, 141 KB

english, 2001

14

Theoretical analysis of the fluorescence spectrum of hypocrellin A

Hong-Yu Zhang, De-Zhan Chen

Journal:

Dyes and Pigments

Year:

2000

Language:

english

File:

PDF, 100 KB

english, 2000

15

Theoretical study on the trihydroxy-anthraquinone tautomerism in the ground and excited states

Dao-Ping Wang, Shou-Gang Chen, De-Zhan Chen

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 262 KB

english, 2003

16

Theoretical studies of conjugate and substituent effects on the intramolecular proton transfer: an HF/CIS study

Dao-Ping Wang, Shou-Gang Chen, De-Zhan Chen

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

2004

Language:

english

File:

PDF, 99 KB

english, 2004

17

The TST–CEQ calculations on the heavy-light-heavy Cl + HCl reaction

Guan-Zhi Ju, De-Zhan Chen

Journal:

International Journal of Quantum Chemistry

Year:

1990

Language:

english

File:

PDF, 314 KB

english, 1990

18

Theoretical Elucidation on the Antioxidant Mechanism of Curcumin: A DFT Study

Sun, You-Min, Zhang, Hong-Yu, Chen, De-Zhan, Liu, Cheng-Bu

Journal:

Organic Letters

Year:

2002

Language:

english

File:

PDF, 49 KB

english, 2002

19

Exact quantum calculations on the collinear hydrogen atom transfer reaction I. Study on oscillations of the reaction probabilities of Cl + HCl

Guan-Zhi Ju, De-Zhan Chen

Journal:

Chinese Journal of Chemistry

Year:

1989

Language:

english

File:

PDF, 373 KB

english, 1989

20

Ab initio study on mechanisms of singlet oxygen reaction with ethylene

De-Zhan Chen, Bao-Ji Chen, Shi-Guang Ning

Journal:

Chinese Journal of Chemistry

Year:

1994

Language:

english

File:

PDF, 377 KB

english, 1994

21

Exact quantum and TST-CEQ study of the collinear reaction O+HCl

Guan-Zhi Ju, De-Zhan Chen

Journal:

Chinese Journal of Chemistry

Year:

1995

Language:

english

File:

PDF, 316 KB

english, 1995

22

Organometallic Coordination Polymers Generated from Bent Bis(acetylenylphenyl)oxadiazole Ligands and Ag(I) Salts

Dong, Yu-Bin, Zhang, Qiang, Wang, Le, Ma, Jian-Ping, Huang, Ru-Qi, Shen, Da-Zhong, Chen, De-Zhan

Journal:

Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 1.32 MB

english, 2005

23

Understanding the mechanism of procedure-controlled enantioselectivity switch in cinchona alkaloid thiourea catalyzed [3+2] cycloaddition: H-bonds controlled enantioselectivity

He, Qi, Huang, Fang, Sun, Chuanzhi, Xie, Lihuan, Chen, De-zhan

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 2.88 MB

english, 2015

24

A Computational Mechanistic Study of Amidation of Quinoline N -Oxide: The Relative Stability of Amido Insertion Intermediates Determines the Regioselectivity

Liu, Jian-Biao, Sheng, Xie-Huang, Sun, Chuan-Zhi, Huang, Fang, Chen, De-Zhan

Journal:

Year:

2016

Language:

english

File:

PDF, 3.13 MB

english, 2016

25

Computational Mechanistic Study of Redox-Neutral Rh(III)-Catalyzed C–H Activation Reactions of Arylnitrones with Alkynes: Role of Noncovalent Interactions in Controlling Selectivity

Xing, Yang-Yang, Liu, Jian-Biao, Tian, Ying-Ying, Sun, Chuan-Zhi, Huang, Fang, Chen, De-Zhan

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 2.83 MB

english, 2016

26

Solvent Mediating a Switch in the Mechanism for Rhodium(III)-Catalyzed Carboamination/Cyclopropanation Reactions between N -Enoxyphthalimides and Alkenes

Xing, Yang-Yang, Liu, Jian-Biao, Sheng, Xie-Huang, Sun, Chuan-Zhi, Huang, Fang, Chen, De-Zhan

Journal:

Inorganic Chemistry

Year:

2017

Language:

english

File:

PDF, 3.70 MB

english, 2017

27

Tandem Synthesis of Pyrrolo[2,3- b ]quinolones via Cadogen-Type Reaction

Lin, Zhichen, Hu, Zhongyan, Zhang, Xin, Dong, Jinhuan, Liu, Jian-Biao, Chen, De-Zhan, Xu, Xianxiu

Journal:

Organic Letters

Year:

2017

Language:

english

File:

PDF, 830 KB

english, 2017

28

Mechanistic Exploration of the Competition Relationship between Ketone and C=C, C=N or C=S Bond in the Rh(III)-Catalyzed Carbocyclization Reactions

Xing, Yang-Yang, Liu, Jian-Biao, Sun, Chuan-Zhi, Huang, Fang, Chen, De-Zhan

Journal:

Journal of Organic Chemistry

Year:

2018

Language:

english

File:

PDF, 1.10 MB

english, 2018

29

Study on adjacent radicals short contact interaction, spin density, overlap integral and strong anti-ferromagnetic coupling strength

Zheng, Lu-Yi, Chi, Yan-Hui, Shi, Jing-Min, Zhang, Cheng-Cheng, Chen, De-Zhan

Journal:

Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.29 MB

english, 2018

30

Mechanistic Exploration of Cp*Co III /Rh III -Catalyzed Carboamination/Olefination of N- Phenoxyacetamides with Alkenes

Xing, Yang-Yang, Liu, Jian-Biao, Sun, Chuan-Zhi, Huang, Fang, Chen, De-Zhan

Journal:

Inorganic Chemistry

Year:

2018

Language:

english

File:

PDF, 4.05 MB

english, 2018

31

Fragment-centric topographic mapping method guides the understanding of ABCG2-inhibitor interactions

Wu, Yao, Gao, Xin-Ying, Chen, Xin-Hui, Zhang, Shao-Long, Wang, Wen-Juan, Sheng, Xie-Huang, Chen, De-Zhan

Journal:

Year:

2019

Language:

english

File:

PDF, 1.33 MB

english, 2019

32

A Computational Mechanistic Study of Pd(II)-Catalyzed Enantioselective C(sp 3 )-H Borylation: Roles of APAO Ligands

Xing, Yang-Yang, Liu, Jian-Biao, Sun, Qing-Min, Sun, Chuan-Zhi, Huang, Fang, Chen, De-Zhan

Journal:

Journal of Organic Chemistry

Year:

2019

Language:

english

File:

PDF, 2.14 MB

english, 2019