Chu, San-Yan: search on Z-Library

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1

Modified Gaussian-2 level investigation of the identity ion-pair SN2 reactions of lithium halide and methyl halide with inversion and retention mechanisms

Yi Ren, San-Yan Chu

Journal:

Journal of Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 176 KB

english, 2004

2

A comprehensive theoretical study on the hydrolysis of carbonyl sulfide in the neutral water

Chao Deng, Qiang-Gen Li, Yi Ren, Ning-Bew Wong, San-Yan Chu, Hua-Jie Zhu

Journal:

Journal of Computational Chemistry

Year:

2008

Language:

english

File:

PDF, 1.13 MB

english, 2008

3

Theoretical Model for Insertion of the 16-Electron Species (η 5 -C 5 H 5 )M(L) into Saturated Hydrocarbons. A (η 5 -C 5 H 5 )M(CO) + CH 4 (M = Ru - , Os - , Rh, Ir, Pd + , Pt + ) Case Study

Su, Ming-Der, Chu, San-Yan

Journal:

Organometallics

Year:

1997

Language:

english

File:

PDF, 251 KB

english, 1997

4

A theoretical study of dissociation pathways of HICO

Chiu-Ling Lin, Ming-Der Su, San-Yan Chu

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 97 KB

english, 1999

5

Ion Pair S N 2 Reactions at Nitrogen: A High-Level G2M(+) Computational Study

Ren, Yi, Chu, San-Yan

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 149 KB

english, 2004

6

Ab initio computational modeling on the tautomerism of monochalcogenocarboxylic acids CH3C(O)XH (X = S, Se, and Te) in the polar and aprotic solution

Qiang-Gen Li, Guo-Ming Liang, Xin Wang, San-Yan Chu, Yi Ren

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 229 KB

english, 2007

7

Structural symmetry study of some bis-adduct of an acceptor with two donors

Hsin-Yi Liao, San-Yan Chu

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 174 KB

english, 2002

8

Effects of First-Row Substituents on Silicon−Phosphorus Triple Bonds

Lai, Chin-Hung, Su, Ming-Der, Chu, San-Yan

Journal:

Inorganic Chemistry

Year:

2002

Language:

english

File:

PDF, 43 KB

english, 2002

9

Hydrogen bond acceptor capability of carbonyl π-electrons—case study of the hydrogen-bonded urea dimer

Liao, Hsin-Yi, Chu, San-Yan

Journal:

New Journal of Chemistry

Year:

2003

Language:

english

File:

PDF, 141 KB

english, 2003

10

Comparison between intervalence charge transfer and molecular tautomerism

San-Yan Chu, Shyi-Long Lee

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 230 KB

english, 1980

11

Ene Reaction of Arynes with Alkynes

Jayanth, Thiruvellore Thatai, Jeganmohan, Masilamani, Cheng, Mu-Jeng, Chu, San-Yan, Cheng, Chien-Hong

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 60 KB

english, 2006

12

Acetylene adsorption on Si(111): Molecular orbital theory

San-Yan Chu, Alfred B. Anderson

Journal:

Surface Science

Year:

1988

Language:

english

File:

PDF, 531 KB

english, 1988

13

Distinct π-Bonding Capability between Phosphinidene and Phosphonium Ion: A Computational Study †

Cheng, Hisn-Mei, Lin, Chun-Fu, Chu, San-Yan

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 80 KB

english, 2007

14

Substituent Effects on Shape Deformation and Energies of the Silicon and Germanium Double Bond

Chen, Wei-Chih, Su, Ming-Der, Chu, San-Yan

Journal:

Organometallics

Year:

2001

Language:

english

File:

PDF, 54 KB

english, 2001

15

A simple theoretical model for dual phosphorescence

San-Yan Chu, Lionel Goodman

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 474 KB

english, 1975

16

DFT explorations of tautomerism of 2-mercaptoimidazole in aqueous solution

Hua-Jie Zhu, Yi Ren, Jie Ren, San-Yan Chu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 314 KB

english, 2005

17

The geometrical effect on the chemical reactivity of nucleophilic carbenes. A theoretical study

Ming-Der Su, San-Yan Chu

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 263 KB

english, 1999

18

Comprehensive mechanistic study of ion pair SN2 reactions of lithium isocyanate and methyl halides

Ying-Xin Sun, Yi Ren, Ning-Bew Wong, San-Yan Chu, Ying Xue

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 159 KB

english, 2006

19

Characterization of the SiOT Angle and Cation Effects on 29 Si Chemical Shifts Of Zeolites

Su, Ming-Der, Chao, Kuei-Jung, Chu, San-Yan, Chen, Cheu-Pyeng

Journal:

Journal of the Chinese Chemical Society

Year:

1990

Language:

english

File:

PDF, 442 KB

english, 1990

20

Theoretical Study of HNXH (X: N, P, As, Sb, and Bi) Isomers in the Singlet and Triplet States.

Chin-Hung Lai, Ming-Der Su, San-Yan Chu

Journal:

Year:

2003

File:

PDF, 56 KB

2003

21

A noninteractive model for dual phosphorescence in aromatic carbonyls

San-Yan Chu, Lionel Goodman

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 458 KB

english, 1975

22

Structures and stability of B-doped Al anions: AlnB− and AlnB2− (n = 1–7)

Zhen-Yi Jiang, Xiao-Min Luo, Sheng-Tao Li, San-Yan Chu

Journal:

International Journal of Mass Spectrometry

Year:

2006

Language:

english

File:

PDF, 268 KB

english, 2006

23

Theoretical model for oxidative activation of the O–H bond to platinum(0) complexes

Ming-Der Su, San-Yan Chu

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 125 KB

english, 1998

24

Rotational barrier calculation on thioformamide

Ming-Chiu Ou, Ming-Sung Tsai, San-Yan Chu

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 451 KB

english, 1994

25

Substituent Effects on Oxidative Addition for Coordinatively Unsaturated d 8 ML 3 . Mechanistic and Thermodynamic Considerations

Su, Ming-Der, Chu, San-Yan

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 253 KB

english, 1998

26

Theoretical study of triple bonds to germanium: relative stabilities of germanitriles and germaimines

Lai, Chin-Hung, Chu, San-Yan, Su, Ming-Der

Journal:

Chemical Communications

Year:

2001

Language:

english

File:

PDF, 56 KB

english, 2001

27

EXPLORING THE POTENTIAL ENERGY SURFACE OF THE CATALYZED ISOMERIZATION OF NITROSOMETHANE TO FORMALDOXIME

LIANG, GUO-MING, REN, YI, CHU, SAN-YAN, WONG, NING-BEW

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 190 KB

english, 2007

28

AM1 study of C-O fragmentation in the radical anions of benzyl methyl ethers

Ming-Sung Tsai, Ming-Chiu Ou, San-Yan Chu

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 338 KB

english, 1994

29

Natural bond orbital study on the strain energy in cyclotrisilane

Ming-Chiu Ou, San-Yan Chu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 554 KB

english, 1995

30

Protonation Sites and Rotational Barriers Calculation for Formamide and Thioformamide

Ou, Ming-Chiu, Chu, San-Yan

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 736 KB

english, 1995

31

Structures, vibrational spectra, and relative energies of HXSiS (X = H, F, and Cl) isomers

Chin-Hung Lai, Ming-Der Su, San-Yan Chu

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 275 KB

english, 2001

32

Some comments on the dynamic spin polarization effect

San-Yan Chu, Tieh-Sheng Lee, Shyi-Long Lee

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 329 KB

english, 1982

33

Theoretical study of the conformation of bis(1,4-difluorobenzene)vanadium

Ming-Der Su, San-Yan Chu

Journal:

Journal of Organometallic Chemistry

Year:

1990

Language:

english

File:

PDF, 432 KB

english, 1990

34

Rehybridization in annelated benzene and dissociating glyoxal

Ming-Chiu Ou, San-Yan Chu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 504 KB

english, 1997

35

Transition-Matrix Elements of Chemical Processes

Chu, San-Yan, Lee, Tieh-Sheng, Lec, Shyi-Long

Journal:

Journal of the Chinese Chemical Society

Year:

1992

Language:

english

File:

PDF, 756 KB

english, 1992

36

Electronic relaxation effect on sequential α-cleavage bond dissociation energy for carbonyl compounds and the heavy analogues

Chiu-Ling Lin, Chin-Hung Lai, San-Yan Chu

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 104 KB

english, 2002

37

Theoretical studies of dissociation pathways on the ground state potential energy surface for HXGeO (X=H, F, Cl, and Br)

Chiu-Ling Lin, Ming-Der Su, San-Yan Chu

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 641 KB

english, 1999

38

Theoretical Study of Reactions of Arduengo-Type Carbene, Silylene, and Germylene with CH 4

Su, Ming-Der, Chu, San-Yan

Journal:

Inorganic Chemistry

Year:

1999

Language:

english

File:

PDF, 115 KB

english, 1999

39

Theoretical Study of the Oxidative Addition of 16-Electron d 4 [ n ]-Metallocenophane Complexes with Methane

Su, Ming-Der, Chu, San-Yan

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 177 KB

english, 2001

40

Density functional theory of CH bond activation by transition-metal complex: A (η5-C5H5)ML (M=Rh, Ir; L=CH2, CO, SH2, PH3)+CH4 case study

Ming-Der Su, San-Yan Chu

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 176 KB

english, 1999

41

Density functional study of the relative reactivity in the concerted 1,3-dipolar cycloaddition of nitrile ylide to disubstituted ethylenes

Hsin-Yi Liao, Ming-Der Su, Wen-Sheng Chung, San-Yan Chu

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 130 KB

english, 2001

42

Structure and stability of high-spin Aun(n = 2–8) clusters

Zhen-Yi Jiang, Yu-Qing Hou, Kuo-Hsing Lee, San-Yan Chu

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 177 KB

english, 2009

43

Geometrical structures, electronic states, and stability of NinAl clusters

Jun-Qing Wen, Zhen-Yi Jiang, Jun-Qian Li, Li-Ke Cao, San-Yan Chu

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 282 KB

english, 2010

44

Structures and relative stabilities of the novel sandwich complexes related to pentalene: a density functional study

Ming-Der Su, San-Yan Chu

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 196 KB

english, 1998

45

Unsupported Metal Chain Complex: Synthesis, Characterization, and EHMO Study Involving the Tetraosmium Complex [Os 2 (CO) 5 (thd) 2 ] 2

Su, Ming-Der, Liao, Hsin-Yi, Chu, San-Yan, Chi, Yun, Liu, Chao-Shiuan, Lee, Feng-Jen, Peng, Shie-Ming, Lee, Gene-Hsiang

Journal:

Organometallics

Year:

2000

Language:

english

File:

PDF, 75 KB

english, 2000

46

Nucleophilic Addition to Tungsten .eta.4-2-(Methoxycarbonyl)-1,3-pentadiene Cations: Control of Nucleophilic Regiochemistry by the Diene Conformation

Cheng, Ming-Huei, Ho, Yuung-Hsing, Chen, Chi-Chung, Lee, Gene-Hsiang, Peng, Shie-Ming, Chu, San-Yan, Liu, Rai-Shung

Journal:

Organometallics

Year:

1994

Language:

english

File:

PDF, 1.35 MB

english, 1994

47

Bonding Pattern Continuum from Covalent to Dative Carbon−Silicon Bonds for Substituted Silenes: A Theoretical Study

Cheng, Mu-Jeng, Chu, San-Yan

Journal:

Organometallics

Year:

2005

Language:

english

File:

PDF, 150 KB

english, 2005

48

Structure and Stability of XNP and NPX, X = H + , CH 3+ , O, F +

Ou, Ming-Chiu, Chu, San-Yan

Journal:

Journal of the Chinese Chemical Society

Year:

1994

Language:

english

File:

PDF, 627 KB

english, 1994

49

Overlap repulsion and reaction barrier

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 329 KB

english, 1977

50

Sudden polarization, intervalence charge transfer and resonance

San-Yan Chu, Shyi-Long Lee

Journal:

Chemical Physics Letters

Year:

1980

Language:

english

File:

PDF, 399 KB

english, 1980

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