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1

Dissociative excitation of CH3NO2 and CH3OH by collisions with metastable helium in the beam experiment

Huazhong Yu, Yueshu Gu, Qi Sun, Yongjia Yin, Xuechu Li, Guanlin Shen, Liming Wang

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 511 KB

english, 1991

2

A computational study on mechanism and kinetics for the abstraction reaction of SiHCl3 with atomic O(3P)

Qingzhu Zhang, Yueshu Gu, Shaokun Wang

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 214 KB

english, 2004

3

Theoretical study on the reaction path dynamics and rate constants for the hydrogen-abstraction reaction of atomic O (3P) with CH2FCl

Qingzhu Zhang, Yueshu Gu, Shaokun Wang

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 207 KB

english, 2004

4

Direct ab initio and kinetic calculation for the abstraction reaction of atomic O (3P) with CH3Br

Qingzhu Zhang, Shaokun Wang, Yueshu Gu

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 211 KB

english, 2002

5

Ab initio and kinetic calculation for the abstraction reaction of atomic O (3P) with Si2H6

Qingzhu Zhang, Shaokun Wang, Jianhua Zhou, Yueshu Gu

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 301 KB

english, 2002

6

A theoretical investigation on the mechanism and kinetics for the reaction of SiH2Cl2 with atomic O (3P)

Qingzhu Zhang, Shaokun Wang, Yueshu Gu

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 196 KB

english, 2003

7

Theoretical study on the abstract reaction of O(3P) with CHFCl2

Shaokun Wang, Qingzhu Zhang, Yueshu Gu

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 186 KB

english, 2003

8

A new mechanism for the CH(X 2Π)+NO(X 2Π)→CO(X 1Σ+)+NH(X 3Σ−) reaction on the triplet surface

Baoshan Wang, Hua Hou, Yueshu Gu

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 156 KB

english, 1999

9

Existence of hydrogen bonding between the hydroxyl radical and hydrogen peroxide: OH·H2O2

Baoshan Wang, Hua Hou, Yueshu Gu

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 82 KB

english, 1999

10

Water-catalyzed mechanism for the pyrolysis of formic acid

Baoshan Wang, Hua Hou, Yueshu Gu

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 114 KB

english, 1999

11

Theoretical investigation of the reactions of O(3P) with CH3F and CH2F2

Baoshan Wang, Hua Hou, Yueshu Gu

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 143 KB

english, 1999

12

The attractive quartet potential energy surface for the CH3C(a 4A2)+CO reaction

Hua Hou, Baoshan Wang, Yueshu Gu

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 207 KB

english, 2000

13

Theoretical studies of the reactions of O(3P) with halogenated methyl (I)

Hua Hou, Baoshan Wang, Yueshu Gu

Journal:

Science China Chemistry

Year:

1999

Language:

english

File:

PDF, 345 KB

english, 1999

14

Quenching rate constants for metastable molecule PCI (b1∑+, v′ = 0)

Chuanpu Liu, Shengli Zou, Jingzhong Guo, Yueshu Gu, Dezhao Cao, Yannan Chu

Journal:

Chinese Science Bulletin

Year:

1997

Language:

english

File:

PDF, 186 KB

english, 1997

15

The v-v energy transfer of highly vibrationally excited states (II)

Baoshan Wang, Yueshu Gu, Qiang Li, Fan’ao Kong

Journal:

Chinese Science Bulletin

Year:

1998

Language:

english

File:

PDF, 299 KB

english, 1998

16

The v-v energy transfer of highly vibrationally excited states (I)

Baoshan Wang, Yueshu Gu, Yong He, Fan’ao Kong

Journal:

Chinese Science Bulletin

Year:

1998

Language:

english

File:

PDF, 333 KB

english, 1998

17

Kinetic calculation for the reaction of H with Si2H6using the variational transition state theory

Qingzhu Zhang, Miaoyan Ru, Minggang Wang, Shaokun Wang, Yueshu Gu

Journal:

Science China Chemistry

Year:

2001

Language:

english

File:

PDF, 137 KB

english, 2001

18

Features of the potential energy surface for the decomposition of CH3OF

Baoshan Wang, Hua Hou, Yueshu Gu

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 112 KB

english, 1999

19

Density functional study of the hydrogen bonding: H2O·HO

Baoshan Wang, Hua Hou, Yueshu Gu

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 95 KB

english, 1999

20

Ab initio potential energy surface for the reaction of O(3P) with CH2F

Baoshan Wang, Hua Hou, Yueshu Gu

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 171 KB

english, 1999

21

New Mechanism for the Catalyzed Thermal Decomposition of Formic Acid†

Wang, Baoshan, Hou, Hua, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 49 KB

english, 2000

22

Theoretical study of the hydrogen bonded structures between H2S and OH radical

Baoshan Wang, Hua Hou, Yueshu Gu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2000

Language:

english

File:

PDF, 101 KB

english, 2000

23

Decomposition and Isomerization of the CH 3 CHClO Radical: ab Initio and RRKM Study

Hou, Hua, Wang, Baoshan, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 86 KB

english, 2000

24

Rapid Vibrational Quenching of CO(V) by H 2 O and C 2 H 2

Wang, Baoshan, Gu, Yueshu, Kong, Fanao

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 129 KB

english, 1999

25

Direct ab Initio Dynamics Studies of the Reactions of H with SiH 4- n Cl n ( n = 1−3)

Zhang, Qingzhu, Wang, Shaokun, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 92 KB

english, 2002

26

Ab Initio and Kinetic Calculations for the Reactions of H with (CH 3 ) (4- n ) GeH n ( n = 1, 2, 3, 4)

Zhang, Qingzhu, Zhang, Dongju, Wang, Shaokun, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 95 KB

english, 2002

27

Theoretical Investigation of the O( 3 P) + CHX 2 (X = F, Cl) Reactions

Hou, Hua, Wang, Baoshan, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 241 KB

english, 1999

28

Theoretical Investigation on the Mechanism and Thermal Rate Constants for the Reaction of Atomic O ( 3 P) with CHF 2 Cl

Zhang, Qingzhu, Gu, Yueshu, Wang, Shaokun

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 104 KB

english, 2003

29

Theoretical Investigation of the Kinetics for the Reactions of H with GeH (4- n ) F n ( n = 0, 1, 2, 3)

Zhang, Qingzhu, Wang, Shaokun, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 151 KB

english, 2002

30

Multilevel Vibrational−Vibrational (V−V) Energy Transfer from CO( v ) to O 2 and CO 2

Wang, Baoshan, Gu, Yueshu, Kong, Fanao

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 237 KB

english, 1998

31

Mechanism and Interpolated Variational Transition State Rate Constant for the Reaction of Atomic H with Monoethylsilane †

Zhang, Qingzhu, Gu, Yueshu, Wang, Shaokun

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 113 KB

english, 2003

32

Ab Initio Studies of the Reaction of O( 3 P) with CHClF Radical

Wang, Baoshan, Hou, Hua, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 69 KB

english, 1999

33

Ab Initio Mechanism and Multichannel RRKM−TST Rate Constant for the Reaction of Cl( 2 P) with CH 2 CO (Ketene)

Hou, Hua, Wang, Baoshan, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 125 KB

english, 2000

34

Ab Initio/Density Functional Theory and Multichannel RRKM Calculations for the CH 3 O + CO Reaction

Wang, Baoshan, Hou, Hua, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 307 KB

english, 1999

35

Quenching Rate Constants for PCl(b 1 Σ + , v ‘ = 0)

Liu, Chuanpu, Zou, Shengli, Guo, Jingzhong, Gu, Yueshu, Cao, Dezhao, Chu, Yannan, Setser, D. W.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 152 KB

english, 1997

36

Ab Initio and Kinetic Calculation for the Abstraction Reaction of Atomic O( 3 P) with SiH 4

Zhang, Qingzhu, Wang, Shaokun, Zhou, Jianhua, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 76 KB

english, 2002

37

Ab Initio and Kinetic Calculations for the Reactions of NH(X 3 Σ - ) with CH x F 4- x and CD x F 4- x ( x = 1, 2, 3, 4)

Wang, Baoshan, Hou, Hua, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 128 KB

english, 1999

38

Kinetics and Mechanism of O ( 3 P) Reaction with CH 3 CHF 2 : A Theoretical Study

Zhang, Qingzhu, Zhang, R. Q., Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 81 KB

english, 2004

39

Theoretical Study of the Reaction of Atomic Hydrogen with Acetonitrile

Wang, Baoshan, Hou, Hua, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 127 KB

english, 2001

40

Theoretical Investigation of the Reaction of O( 3 P) with CH 2 Cl

Wang, Baoshan, Hou, Hua, Gu, Yueshu

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 125 KB

english, 1999

41

Theoretical Investigation of the Kinetics for the Reactions of Atomic Hydrogen with GeH (4- n ) Cl n ( n = 0, 1, 2, 3)

Zhang, Qingzhu, Gu, Yueshu, Wang, Shaokun

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 115 KB

english, 2003

42

Theoretical study of the reaction of CH3C(X̃ 2A″, ã4A2) with N2

Hou, Hua, Wang, Baoshan, Gu, Yueshu

Journal:

Physical Chemistry Chemical Physics

Year:

2000

Language:

english

File:

PDF, 186 KB

english, 2000

43

Ab initio and kinetic calculations for the reactions of H with SiH(4-n)Fn (n=1–3)

Zhang, Qingzhu, Wang, Shaokun, Wang, Chunsheng, Gu, Yueshu

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 155 KB

english, 2001

44

A theoretical study of the thermal decomposition of fluoromethanethiol (CH2FSH)

Wang, Baoshan, Hou, Hua, Gu, Yueshu

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 131 KB

english, 1999

45

Mechanism of the OH+CH2CO reaction

Hou, Hua, Wang, Baoshan, Gu, Yueshu

Journal:

Physical Chemistry Chemical Physics

Year:

2000

Language:

english

File:

PDF, 174 KB

english, 2000

46

Ab initio and RRKM studies of the unimolecular reactions of CH2XCHFO (X=H, F) radicals

Hou, Hua, Wang, Baoshan, Gu, Yueshu

Journal:

Physical Chemistry Chemical Physics

Year:

2000

Language:

english

File:

PDF, 140 KB

english, 2000

47

Ab initio mechanism and thermal rate constants for the reaction of atomic H with Ge2H6

Zhang, Qingzhu, Gu, Yueshu, Wang, Shaokun

Journal:

New Journal of Chemistry

Year:

2003

Language:

english

File:

PDF, 175 KB

english, 2003

48

Theoretical studies on the variational transitional state theory rate constants for the hydrogen abstraction reaction of O ([sup 3]P) with CH[sub 3]Cl and CH[sub 2]Cl[sub 2]

Zhang, Qingzhu, Gu, Yueshu, Wang, Shaokun

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 337 KB

english, 2003

49

A theoretical investigation on the mechanism and kinetics for the reaction of atomic O([sup 3]P) with CH[sub 3]CHCl[sub 2]

Zhang, Qingzhu, Wang, Shaokun, Gu, Yueshu

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 341 KB

english, 2003

50

Mechanism and rate constant of the reaction of atomic hydrogen with propyne

Wang, Baoshan, Hou, Hua, Gu, Yueshu

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 346 KB

english, 2000

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