San-Yan Chu : rechercher sur 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

Année:

2004

Langue:

english

Fichier:

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

Année:

2008

Langue:

english

Fichier:

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

Année:

1997

Langue:

english

Fichier:

PDF, 251 KB

english, 1997

4

H+, Li+, and Na+ affinity study of N2, P2, and their isoelectronic species

Yu-Nung Su, Ming-Sung Tsai, San-Yan Chu

Journal:

International Journal of Quantum Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 552 KB

english, 1996

5

Singlet–triplet splitting and the activation of CH bond for (η5-C5H5)M(CO) isoelectronic fragments: A theoretical study

Ming-Der Su, San-Yan Chu

Journal:

International Journal of Quantum Chemistry

Année:

1998

Langue:

english

Fichier:

PDF, 472 KB

english, 1998

6

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

Année:

1999

Langue:

english

Fichier:

PDF, 176 KB

english, 1999

7

A Theoretical Model for the Orientation of 16-Electron [CpML] Insertion into the C–H Bond of Propane and Cyclopropane and Its Regio- and Stereoselectivity

Ming-Der Su, San-Yan Chu

Journal:

Chemistry - A European Journal

Année:

1999

Langue:

english

Fichier:

PDF, 380 KB

english, 1999

8

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

Année:

2001

Langue:

english

Fichier:

PDF, 275 KB

english, 2001

9

Deoxygenation and Desulfurization of Oxiranes and Thiiranes by Carbenes: A Theoretical Study

Ming-Der Su, San-Yan Chu

Journal:

Chemistry - A European Journal

Année:

2000

Langue:

english

Fichier:

PDF, 625 KB

english, 2000

10

ChemInform Abstract: Stabilization of a Germanium—Oxygen Double Bond: A Theoretical Study.

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

Journal:

Année:

2000

Fichier:

PDF, 27 KB

2000

11

ChemInform Abstract: Theoretical Study of Germaneselone HXGe=Se (X: H and F): Thermodynamic and Kinetic Stability.

Hsin-Yi Liao, Ming-Der Su, San-Yan Chu

Journal:

Année:

2001

Fichier:

PDF, 24 KB

2001

12

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:

Année:

2003

Fichier:

PDF, 56 KB

2003

13

A simple theoretical model for dual phosphorescence

San-Yan Chu, Lionel Goodman

Journal:

Chemical Physics Letters

Année:

1975

Langue:

english

Fichier:

PDF, 474 KB

english, 1975

14

A noninteractive model for dual phosphorescence in aromatic carbonyls

San-Yan Chu, Lionel Goodman

Journal:

Chemical Physics Letters

Année:

1975

Langue:

english

Fichier:

PDF, 458 KB

english, 1975

15

Overlap repulsion and reaction barrier

Journal:

Chemical Physics Letters

Année:

1977

Langue:

english

Fichier:

PDF, 329 KB

english, 1977

16

Some comments on the dynamic spin polarization effect

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

Journal:

Chemical Physics Letters

Année:

1982

Langue:

english

Fichier:

PDF, 329 KB

english, 1982

17

Charge localization in solvated ions and in molecular core-hole states

San-Yan Chu, Shyi-Long Lee

Journal:

Chemical Physics Letters

Année:

1983

Langue:

english

Fichier:

PDF, 250 KB

english, 1983

18

The basis for the consistency between the woodward-hoffmann rule and fukui's frontier orbital theory

Journal:

Année:

1978

Langue:

english

Fichier:

PDF, 397 KB

english, 1978

19

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

Année:

2006

Langue:

english

Fichier:

PDF, 268 KB

english, 2006

20

Structure and stability of high-spin Lin−1X (n = 2–8, X = Li, Na, and K) clusters

Zhen-Yi Jiang, Xin-Wei Cao, Kuo-Hsing Lee, San-Yan Chu

Journal:

International Journal of Mass Spectrometry

Année:

2008

Langue:

english

Fichier:

PDF, 629 KB

english, 2008

21

Novel SEI formation of maleimide-based additives and its improvement of capability and cyclicability in lithium ion batteries

Fu-Ming Wang, Hsin-Mei Cheng, Hung-Chun Wu, San-Yan Chu, Chin-Shu Cheng, Chang-Rung Yang

Journal:

Electrochimica Acta

Année:

2009

Langue:

english

Fichier:

PDF, 2.01 MB

english, 2009

22

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

Année:

2005

Langue:

english

Fichier:

PDF, 314 KB

english, 2005

23

Theoretical study of geometrical effect on the deoxygenation of epoxide by singlet carbenes

Ming-Der Su, San-Yan Chu

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 189 KB

english, 2000

24

Substituent effects on the stabilization of a germanium–sulfur double bond

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

Journal:

Chemical Physics Letters

Année:

2001

Langue:

english

Fichier:

PDF, 92 KB

english, 2001

25

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

Année:

2002

Langue:

english

Fichier:

PDF, 104 KB

english, 2002

26

A comprehensive theoretical study on the identity ion pair SN2 reactions of LiX with NH2X (X=F, Cl, Br and I), structure, mechanism and potential energy surface

Yi Ren, San-Yan Chu

Journal:

Chemical Physics Letters

Année:

2003

Langue:

english

Fichier:

PDF, 244 KB

english, 2003

27

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

Ming-Der Su, San-Yan Chu

Journal:

Chemical Physics Letters

Année:

1998

Langue:

english

Fichier:

PDF, 125 KB

english, 1998

28

A theoretical study of dissociation pathways of HICO

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

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 97 KB

english, 1999

29

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

Ming-Der Su, San-Yan Chu

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 263 KB

english, 1999

30

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

Année:

1994

Langue:

english

Fichier:

PDF, 338 KB

english, 1994

31

Rotational barrier calculation on thioformamide

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

Journal:

Journal of Molecular Structure

Année:

1994

Langue:

english

Fichier:

PDF, 451 KB

english, 1994

32

Theoretical studies of the insertions of germylene into methane

Ming-Der Su, San-Yan Chu

Journal:

Tetrahedron Letters

Année:

1999

Langue:

english

Fichier:

PDF, 182 KB

english, 1999

33

Relative stability of multiple bonds between germanium and arsenic. A theoretical study

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

Journal:

Année:

2002

Langue:

english

Fichier:

PDF, 109 KB

english, 2002

34

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

Année:

1999

Langue:

english

Fichier:

PDF, 641 KB

english, 1999

35

1,5-Hydrogen atom transfer from α, β and γ carbons to an alkenyl or aryl radical in cycloalkanones

Chin-Kang Sha, Wen-Yueh Ho, A.K. Mohanakrishnan, Chiu-Ling Lin, San-Yan Chu

Journal:

Comptes Rendus de l'Académie des Sciences - Series IIC - Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 123 KB

english, 2001

36

Gas-phase non-identity SN2 reactions at neutral nitrogen: a hybrid DFT study

Jing Yang, Yi Ren, Hua-jie Zhu, San-Yan Chu

Journal:

International Journal of Mass Spectrometry

Année:

2003

Langue:

english

Fichier:

PDF, 273 KB

english, 2003

37

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

Année:

2001

Langue:

english

Fichier:

PDF, 130 KB

english, 2001

38

Theoretical investigation of ion pair SN2 reactions of alkali isothiocyanates with alkyl halides. Part 1. Reaction of lithium isothiocyanate and methyl fluoride with inversion mechanism

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

Journal:

International Journal of Quantum Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 196 KB

english, 2005

39

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

Année:

2006

Langue:

english

Fichier:

PDF, 159 KB

english, 2006

40

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

Année:

2007

Langue:

english

Fichier:

PDF, 229 KB

english, 2007

41

Tautomerism of monochalcogenosilanoic acids CH3Si(O)XH (X = S, Se, Te) in the gas phase and in the polar and aprotic solution: An ab initio computational investigation

Qiang-Gen Li, Chao Deng, Yi Ren, Ning-Bew Wong, San-Yan Chu, Xin Wang

Journal:

International Journal of Quantum Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 223 KB

english, 2008

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

Année:

2009

Langue:

english

Fichier:

PDF, 177 KB

english, 2009

43

Density functional study of structural and electronic properties of maximum-spin n+1Aun−1Ag clusters

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

Journal:

International Journal of Quantum Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 205 KB

english, 2009

44

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

Année:

2010

Langue:

english

Fichier:

PDF, 282 KB

english, 2010

45

Density functional theory study of geometry and stability of small Zrn (n = 2–10) clusters

Xiao-Qing Wang, Zhen-Yi Jiang, Jun-Qian Li, Qing-Li He, San-Yan Chu

Journal:

International Journal of Quantum Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 216 KB

english, 2011

46

Comparison between the symmetry-correlation examination and the perturbation method

Tieh-Sheng Lee, San-Yan Chu

Journal:

International Journal of Quantum Chemistry

Année:

1980

Langue:

english

Fichier:

PDF, 444 KB

english, 1980

47

Comparison between intervalence charge transfer and molecular tautomerism

San-Yan Chu, Shyi-Long Lee

Journal:

International Journal of Quantum Chemistry

Année:

1980

Langue:

english

Fichier:

PDF, 230 KB

english, 1980

48

Reactivity comparison of one-electron and two-electron processes

Tieh-Sheng Lee, San-Yan Chu

Journal:

International Journal of Quantum Chemistry

Année:

1983

Langue:

english

Fichier:

PDF, 409 KB

english, 1983

49

Avoided crossing and intermediate states in certain photochemical reactions

Tieh-Sheng Lee, San-Yan Chu

Journal:

International Journal of Quantum Chemistry

Année:

1983

Langue:

english

Fichier:

PDF, 418 KB

english, 1983

50

Structure and bonding study of the P2 + P2+ system

Yu-Nung Su, San-Yan Chu

Journal:

International Journal of Quantum Chemistry

Année:

1995

Langue:

english

Fichier:

PDF, 466 KB

english, 1995