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1

Theoretical study of fullerene derivatives: C28H4 and C28X4 cluster molecules

Li-Hwa Lu, Kuang-Chung Sun, Cheng Chen

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 276 KB

english, 1998

2

Theoretical study of fullerene derivatives: C40H4 and C40X4 cluster molecules

Li-Hwa Lu, Cheng Chen, Kuang-Chung Sun

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 278 KB

english, 1998

3

Density functional study of tricyclo[3,3,1,13,7]decane and tricyclo[3,3,1,13,7]decsilane and their halogen derivatives

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 186 KB

english, 1999

4

A structure conformation analysis of three new lariat crown ethers based on theory and experiment

Chia-Ching Su, Li-Hwa Lu

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 195 KB

english, 2004

5

Using experimental studies and theoretical calculations to analyze the molecular mechanism of coumarin, p-hydroxybenzoic acid, and cinnamic acid

Tiane-Jye Hsieh, Chia-Ching Su, Chung-Yi Chen, Chyong-Huey Liou, Li-Hwa Lu

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 146 KB

english, 2005

6

NMR spectroscopic, mass spectroscopic, X-ray crystallographic, and theoretical studies of molecular mechanics of natural products: farformolide B and sesamin

Tiane-Jye Hsieh, Li-Hwa Lu, Chia-Ching Su

Journal:

Biophysical Chemistry

Year:

2005

Language:

english

File:

PDF, 246 KB

english, 2005

7

Sensing and fluorescence behaviors of complex formation between new lariat crown ethers bearing fluorescence sidearm and metal ions in methanol solution

Chia-Ching Su, Lilian Kao Liu, Li-Hwa Lu

Journal:

Journal of Luminescence

Year:

2006

Language:

english

File:

PDF, 386 KB

english, 2006

8

Density functional calculations and experimental studies of the sidearm remote controlling effect in eight lariat crown ethers

Li-Hwa Lu, Chia-Ching Su, Tian-Jye Hsieh

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 699 KB

english, 2007

9

Computational note on the theoretical study on 2,4,6,8,9,10-hexaaza-tricyclo [3,3,1,13,7] decane and its twelve derivatives by DFT analysis

Li-Hwa Lu, Chia-Ching Su

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 61 KB

english, 2007

10

The molecular orbitals and first ionization potentials calculation of iodine compounds

Cheng Chen, Li-Hwa Lu, Kung-Chung Sun, Yeong-Ming Wang

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 545 KB

english, 1994

11

V3 energy barrier calculation by using s-p separation type INDO-MO

Cheng Chen, Yung-Wei Yang, Ho-Sum Den, Li-Hwa Lu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1991

Language:

english

File:

PDF, 665 KB

english, 1991

12

Molecular orbital calculation of first ionization potentials for halogen compounds

Li-Hwa Lu, Cheng Chen, Yung-Wei Yang

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1991

Language:

english

File:

PDF, 818 KB

english, 1991

13

Theoretical study of N20 using semiempirical molecular orbital methods

Cheng Chen, Li-Hwa Lu, Yung-Wei Yang

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 433 KB

english, 1992

14

The molecular orbitals and first ionization potentials calculation of iodine compounds

Cheng Chen, Li-Hwa Lu, Kung-Chung Sun, Yeong-Ming Wang

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 528 KB

english, 1994

15

Ab initio calculations in tricyclo[3,3,1,13,7]decane, tricyclo[3,3,1,13,7]decsilane and their silicon-carbon mixed derivatives, C10 − nSinH16 (n = 0, 4, 6, 10)

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 653 KB

english, 1998

16

The generalized parameterization procedure for the semiempirical MO method and calculation of ionization potentials for the third row element molecules

Li-Hwa Lu, Kuang-Chung Sun, Cheng Chen

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 890 KB

english, 1997

17

Theoretical study of tricyclo[3,3,1,13,7]decane, tricyclo[3,3,1,13,7]decsilane molecules and their halogen derivatives, C10H12X4 and Si10H12X4 (X=F, Cl, Br, I)

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1999

Language:

english

File:

PDF, 157 KB

english, 1999

18

Corrigendum to “Sensing and fluorescence behaviors of complex formation between new lariat crown ethers bearing fluorescence sidearm and metal ions in methanol solution” [J. Lumin. 121 (1) (2006) 159–172]

Chia-Ching Su, Lilian Kao Liu, Li-Hwa Lu

Journal:

Journal of Luminescence

Year:

2012

Language:

english

File:

PDF, 73 KB

english, 2012

19

Corrigendum to “Density functional calculations and experimental studies of the sidearm remote controlling effect in eight lariat crown ethers” [J. Mol. Struct. 831 (2007) 151–164]

Lu, Li-Hwa, Su, Chia-Ching, Hsieh, Tian-Jye

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 146 KB

english, 2013

20

Comparative Study of Molecular Mechanics and Theoretical Conformational Analysis of a New 16-Crown-5 Ether via X-ray Crystallography and NMR Spectroscopy

Su, Chia-Ching, Lu, Li-Hwa, Liu, Lilian Kao

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 113 KB

english, 2003

21

Comparison between ab Initio and Modified INDO-MO Calculations of N 20

Chen, Cheng, Sun, Kung-Chung, Lu, Li-Hwa

Journal:

Journal of the Chinese Chemical Society

Year:

1993

Language:

english

File:

PDF, 198 KB

english, 1993

22

The Generalized Parameterization Procedure for Semiempirical MO Method and Calculation of ionization Potentials for the Fourth-Period Element Molecules

Lu, Li-Hwa, Chen, Cheng, Sun, Kuang-Chung

Journal:

Journal of the Chinese Chemical Society

Year:

1997

Language:

english

File:

PDF, 1.06 MB

english, 1997

23

INDO-MO Model with s-p-d Separation

Chen, Cheng, Lu, Li-Hwa, Yang, Yung-Wei

Journal:

Journal of the Chinese Chemical Society

Year:

1992

Language:

english

File:

PDF, 1.46 MB

english, 1992