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1

A theoretical study of the potential curves for C′1Δ and a3Π states of BH

Zun-lue Zhu, Jin-feng Sun, De-heng Shi, Zheng-he Zhu

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2007

Langue:

english

Fichier:

PDF, 154 KB

english, 2007

2

Investigations on adiabatic potential energy curve of 7Li2()

De-Heng Shi, Heng Ma, Jin-Feng Sun, Zun-Lue Zhu, Yu-Fang Liu, Ben-Hai Yu

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2007

Langue:

english

Fichier:

PDF, 139 KB

english, 2007

3

Investigations on spectroscopic properties of SiH(X2Π) radical using coupled-cluster theory in combination with the correlation-consistent quintuple basis set

De-Heng Shi, Jin-Ping Zhang, Jin-Feng Sun, Zun-Lue Zhu, Ben-Hai Yu, Yu-Fang Liu

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2008

Langue:

english

Fichier:

PDF, 139 KB

english, 2008

4

Accurate analytic potential energy function and spectroscopic study for CH(X2Π) radical using coupled-cluster theory in combination with the correlation-consistent quintuple basis set

De-Heng Shi, Jin-Ping Zhang, Jin-Feng Sun, Yu-Fang Liu, Zun-Lue Zhu, Ben-Hai Yu

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2008

Langue:

english

Fichier:

PDF, 216 KB

english, 2008

5

Computational notes on the theoretical study on the potential energy curves for X1Σ+, A1П and I1Σ− states of CO molecule

Guo-liang Xu, Wen-jing Lv, Yu-fang Liu, Zun-lue Zhu, Xian-zhou Zhang, Jin-feng Sun

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2008

Langue:

english

Fichier:

PDF, 132 KB

english, 2008

6

MRCI study on potential energy curves, spectroscopic parameters and rovibrational energy levels of CS(X1Σ+) molecule

De-Heng Shi, Hui Liu, Jin-Feng Sun, Yu-Fang Liu, Zun-Lue Zhu

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2010

Langue:

english

Fichier:

PDF, 205 KB

english, 2010

7

Theoretical investigations on analytical potential energy function and spectroscopic parameters for the state b3Πu of dimer 7Li2

De-Heng Shi, Jin-Feng Sun, Zun-Lue Zhu, Heng Ma, Yu-Fang Liu, Zheng-He Zhu

Journal:

International Journal of Quantum Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 132 KB

english, 2007

8

Theoretical investigations on the SH+(X3Σ−) ion using coupled-cluster theory in combination with the correlation-consistent quintuple basis set augmented with diffuse functions

De-Heng Shi, Jin-Ping Zhang, Yu-Fang Liu, Jin-Feng Sun, Zun-Lue Zhu

Journal:

International Journal of Quantum Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 129 KB

english, 2009

9

Spectroscopic investigations on the HCl(X2Π) ion using coupled-cluster theory in combination with the correlation-consistent quintuple basis set augmented with diffuse functions

De-Heng Shi, Jin-Ping Zhang, Jin-Feng Sun, Hui Liu, Yu-Fang Liu, Zun-Lue Zhu, Zheng-He Zhu

Journal:

International Journal of Quantum Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 117 KB

english, 2010

10

Spectroscopic investigations on HBr+ (X2Π) ion using CCSD(T) theory in combination with cc-pV5Z basis set

De-Heng Shi, Hui Liu, Jin-Feng Sun, Yu-Fang Liu, Zun-Lue Zhu

Journal:

International Journal of Quantum Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 114 KB

english, 2011

11

Spectroscopic investigations on AlH(X1Σ+) radical using multireference configuration interaction theory in combination with correlation-consistent quintuple basis set augmented with diffuse functions

De-Heng Shi, Hui Liu, Xiao-Niu Zhang, Jin-Feng Sun, Yu-Fang Liu, Zun-Lue Zhu

Journal:

International Journal of Quantum Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 121 KB

english, 2011

12

Spectroscopic investigations on BH+(X2Σ+) ion using MRCI method and correlation-consistent sextuple basis set augmented with diffuse functions

De-Heng Shi, Hui Liu, Jin-Ping Zhang, Jin-Feng Sun, Yu-Fang Liu, Zun-Lue Zhu

Journal:

International Journal of Quantum Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 127 KB

english, 2011

13

MRCI investigations on dissociation energy and molecular constants of BCl(X1Σ+) radical

De-Heng Shi, Hui Liu, Xiao-Niu Zhang, Jin-Feng Sun, Yu-Fang Liu, Zun-Lue Zhu

Journal:

International Journal of Quantum Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 135 KB

english, 2011

14

Spectroscopic constants and molecular properties of A3Σu+, B3Πg, W3Δu, and B′3Σu− electronic states of the N2 molecule

De-Heng Shi, Wei Xing, Jin-Feng Sun, Zun-Lue Zhu, Yu-Fang Liu

Journal:

International Journal of Quantum Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 196 KB

english, 2012

15

Spectroscopic constants and molecular properties of the X2Π and a4Σ− electronic states of the SiF radical

De-Heng Shi, Wen-Tao Li, Jin-Feng Sun, Zun-Lue Zhu, Yu-Fang Liu

Journal:

International Journal of Quantum Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 113 KB

english, 2012

16

Theoretical study of spectroscopic and molecular properties of several low-lying electronic states of CO molecule

De-Heng Shi, Wen-Tao Li, Jin-Feng Sun, Zun-Lue Zhu

Journal:

International Journal of Quantum Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 898 KB

english, 2012

17

MRCI study on spectroscopic and molecular properties of several low-lying electronic states of the CN radical

De-heng Shi, Wen-tao Li, Jin-feng Sun, Zun-lue Zhu

Journal:

Journal of Quantitative Spectroscopy and Radiative Transfer

Année:

2011

Langue:

english

Fichier:

PDF, 230 KB

english, 2011

18

Spectroscopic and molecular properties of 14 selected electronic states of Si2 molecule

De-heng Shi, Hui Liu, Jin-feng Sun, Zun-lue Zhu, Yu-fang Liu

Journal:

Journal of Quantitative Spectroscopy and Radiative Transfer

Année:

2011

Langue:

english

Fichier:

PDF, 319 KB

english, 2011

19

Application of PCA and HCA to the Structure-Activity Relationship Study of Fluoroquinolones

Li, Xiao-hong, Zhang, Xian-zhou, Cheng, Xin-lu, Yang, Xiang-dong, Zhu, Zun-lue

Journal:

Chinese Journal of Chemical Physics

Année:

2006

Langue:

english

Fichier:

PDF, 287 KB

english, 2006

20

First-Principles Calculations of Elastic and Thermal Properties of Molybdenum Disilicide

Zun-Lue, Zhu, Hong-Zhi, Fu, Jin-Feng, Sun, Yu-Fang, Liu, De-Heng, Shi, Guo-Liang, Xu

Journal:

Chinese Physics Letters

Année:

2009

Langue:

english

Fichier:

PDF, 405 KB

english, 2009

21

Elastic Collisions Between two Ground-State P and D Atoms at Low and Ultralow Temperatures

De-Heng, Shi, Jin-Ping, Zhang, Jin-Feng, Sun, Heng, Ma, Yu-Fang, Liu, Zun-Lue, Zhu

Journal:

Communications in Theoretical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 1.04 MB

english, 2010

22

Molecular constants of LiCl(X 1 Σ + ) and elastic collisions of two ground-state Cl and Li atoms at low and ultralow temperatures

Zhu, Zun-Lue, Zhang, Xiao-Niu, Kou, Su-Hua, Shi, De-Heng, Sun, Jin-Feng

Journal:

Chinese Physics B

Année:

2010

Langue:

english

Fichier:

PDF, 179 KB

english, 2010

23

Spectroscopic parameters and molecular constants of HI(X 1 Σ + ), DI(X 1 Σ + ) and TI(X 1 Σ + ) isotope molecules

Zhang, Xiao-Niu, Shi, De-Heng, Zhu, Zun-Lue, Sun, Jin-Feng

Journal:

Chinese Physics B

Année:

2010

Langue:

english

Fichier:

PDF, 244 KB

english, 2010

24

Ab initio calculations on the a 3 Σ +u state properties of dimer 7 Li 2

De-Heng, Shi, Jin-Feng, Sun, Zun-Lue, Zhu, Yu-Fang, Liu

Journal:

Chinese Physics

Année:

2007

Langue:

english

Fichier:

PDF, 297 KB

english, 2007

25

A modification potential method of calculating total cross sections of electrons scattering from complex molecules C 2 H 6 , C 2 F 6 , C 6 H 6 and C 6 F 6 at 100 eV–5000 eV

De-Heng, Shi, Jin-Feng, Sun, Zun-Lue, Zhu, Yu-Fang, Liu, Xiang-Dong, Yang

Journal:

Chinese Physics

Année:

2006

Langue:

english

Fichier:

PDF, 335 KB

english, 2006

26

Elastic collisions of sulfur and hydrogen in their ground states at low temperatures and spectroscopic parameters of SH( X 2 ∏) radical

De-Heng, Shi, Jin-Ping, Zhang, Jin-Feng, Sun, Yu-Fang, Liu, Zun-Lüe, Zhu, Heng, Ma, Xiang-Dong, Yang

Journal:

Chinese Physics B

Année:

2008

Langue:

english

Fichier:

PDF, 1.27 MB

english, 2008

27

Study on spectroscopic parameters and molecular constants of HC1( X 1 Σ + ) molecule by using multireference configuration interaction approach

Xiao-Niu, Zhang, De-Heng, Shi, Jin-Ping, Zhang, Zun-Lüe, Zhu, Jin-Feng, Sun

Journal:

Chinese Physics B

Année:

2010

Langue:

english

Fichier:

PDF, 1010 KB

english, 2010

28

Accurate Analytic Potential Energy Function and Spectroscopic Study for G 1 Π g State of Dimer 7 Li 2

De-Heng, Shi, Heng, Ma, Jin-Feng, Sun, Zun-Lue, Zhu

Journal:

Communications in Theoretical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 307 KB

english, 2007

29

Elastic scattering of two ground-state N atoms

Xiao-Niu, Zhang, De-Heng, Shi, Jin-Feng, Sun, Zun-Lue, Zhu

Journal:

Chinese Physics B

Année:

2010

Langue:

english

Fichier:

PDF, 179 KB

english, 2010

30

Ab initio calculation on accurate analytic potential energy functions and harmonic frequencies of c 3 ∑ g+ and B 1 ∏ u states of dimer 7 Li 2

Ben-Hai, Yu, De-Heng, Shi, Jin-Feng, Sun, Zun-Lue, Zhu, Yu-Fang, Liu, Xiang-Dong, Yang

Journal:

Chinese Physics

Année:

2007

Langue:

english

Fichier:

PDF, 270 KB

english, 2007

31

S-Wave Scattering Properties for Na—K Cold Collisions

Zhang, Ji-Cai, Zhu, Zun-Lue, Sun, Jin-Feng, Liu, Yu-Fang

Journal:

Chinese Physics Letters

Année:

2013

Langue:

english

Fichier:

PDF, 4.14 MB

english, 2013

32

The theoretical study on the potential energy curves for X 1 Σ + , A 1 Π and C 1 Σ - states of SiO molecule

Guo-Liang, Xu, Wen-Jing, Lä, Yu-Fang, Liu, Zun-Lue, Zhu, Xian-Zhou, Zhang, Jin-Feng, Sun

Journal:

Chinese Physics B

Année:

2008

Langue:

english

Fichier:

PDF, 2.01 MB

english, 2008

33

Elastic scattering of two H( 2S g ) and N( 4S u ) atoms at low temperatures and accurate spectroscopic parameters of NH ( X 3 Σ − ) radical

De-Heng, Shi, Jin-Ping, Zhang, Jin-Feng, Sun, Zun-Lüe, Zhu, Yu-Fang, Liu, Xiang-Dong, Yang

Journal:

Chinese Physics B

Année:

2008

Langue:

english

Fichier:

PDF, 871 KB

english, 2008

34

Elastic collision properties of ultracold calcium atoms

Zhang, Ji-Cai, Sun, Jin-Feng, Zhu, Zun-Lue, Liu, Yu-Fang

Journal:

Physica Scripta

Année:

2013

Langue:

english

Fichier:

PDF, 420 KB

english, 2013

35

Investigations on molecular constants of the CD(X 2 ∏) radical and elastic collisions between ground-state C and D atoms at low temperatures

De-Heng, Shi, Jin-Ping, Zhang, Jin-Feng, Sun, Yu-Fang, Liu, Zun-Lüe, Zhu

Journal:

Chinese Physics B

Année:

2009

Langue:

english

Fichier:

PDF, 133 KB

english, 2009

36

Calculation of the elastic scattering properties for cold and ultracold 39 K atoms in a triplet state

Qiu-Bo, Hu, Xiao-Fei, Wang, Jin-Feng, Sun, Zun-Lue, Zhu

Journal:

Chinese Physics

Année:

2007

Langue:

english

Fichier:

PDF, 520 KB

english, 2007

37

Investigations on analytic potential energy function, spectroscopic parameters and vibrational manifolds ( J = 0) of the SD+ ( X 3 Σ − ) ion

Jin-Ping, Zhang, De-Heng, Shi, Jin-Feng, Sun, Yu-Fang, Liu, Zun-Lue, Zhu, Heng, Ma

Journal:

Chinese Physics B

Année:

2009

Langue:

english

Fichier:

PDF, 1.29 MB

english, 2009

38

Further investigations of the low-lying electronic states of AsO + radical

Zhu, Zun-Lue, Qiao, Hao, Lang, Jian-Hua, Sun, Jin-Feng

Journal:

Chinese Physics B

Année:

2013

Langue:

english

Fichier:

PDF, 248 KB

english, 2013

39

Absolute differential, elastic integrated and moment transfer cross sections for electron–OCS collisions at intermediate and high energies

De-Heng, Shi, Jin-Feng, Sun, Zun-Lue, Zhu, Hen, Ma, Yu-Fang, Liu, Xiang-Dong, Yang

Journal:

Chinese Physics

Année:

2007

Langue:

english

Fichier:

PDF, 570 KB

english, 2007

40

Ab initio calculations of accurate dissociation energy and analytic potential energy function for the second excited state B 1 Π of 7 LiH

De-Heng, Shi, Yu-Fang, Liu, Jin-Feng, Sun, Zun-Lue, Zhu, Xiang-Dong, Yang

Journal:

Chinese Physics

Année:

2006

Langue:

english

Fichier:

PDF, 1.86 MB

english, 2006

41

Additivity rule for electron–molecule total cross section calculations at 50–5000 eV: a new geometrical approach

De-Heng, Shi, Jin-Feng, Sun, Zun-Lüe, Zhu, Yu-Fang, Liu

Journal:

Chinese Physics B

Année:

2008

Langue:

english

Fichier:

PDF, 744 KB

english, 2008

42

Variable Phase Method Used to Calculate Ultracold Scattering Properties of 7 Li 33 Cs

Bing-Ge, Du, Jin-Feng, Sun, Ji-Cai, Zhang, Ying, Zhang, Wei, Li, Zun-Lue, Zhu

Journal:

Chinese Physics Letters

Année:

2008

Langue:

english

Fichier:

PDF, 426 KB

english, 2008

43

Theoretical investigations of spectroscopic parameters and molecular constants for electronic ground state of Cl 2 and its isotopes

De-Heng, Shi, Xiao-Niu, Zhang, Hui, Liu, Zun-Lue, Zhu, Jin-Feng, Sun

Journal:

Chinese Physics B

Année:

2010

Langue:

english

Fichier:

PDF, 200 KB

english, 2010

44

Analytical Potential Energy Function, Spectroscopic Constants and Vibrational Levels for A 1 Σ +u State of Dimer 7 Li 2

De-Heng, Shi, Heng, Ma, Jin-Feng, Sun, Zun-Lue, Zhu

Journal:

Communications in Theoretical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 429 KB

english, 2007

45

Ab initio calculation of accurate dissociation energy, potential energy curve and dipole moment function for the A 1 Σ + state 7 LiH molecule

De-Heng, Shi, Yu-Fang, Liu, Jin-Feng, Sun, Xiang-Dong, Yang, Zun-Lue, Zhu

Journal:

Chinese Physics

Année:

2006

Langue:

english

Fichier:

PDF, 145 KB

english, 2006

46

Ab initio calculations on the spectroscopic constants, vibrational levels and classical turning points for the 2 1 Π u state of dimer 7 Li 2

Yu-Fang, Liu, Jin-Feng, Sun, Heng, Ma, Zun-Lue, Zhu

Journal:

Chinese Physics

Année:

2007

Langue:

english

Fichier:

PDF, 263 KB

english, 2007

47

Elastic collisions between Si and D atoms at low temperatures and accurate analytic potential energy function and molecular constants of the SiD(X 2 ∏) radical

De-Heng, Shi, Jin-Ping, Zhang, Jin-Feng, Sun, Zun-Lue, Zhu

Journal:

Chinese Physics B

Année:

2009

Langue:

english

Fichier:

PDF, 308 KB

english, 2009

48

Electron-Helium Atom Collisions in the Presence of a Bichromatic Laser Field

Zun-Lue, Zhu, Ming-Chao, Liang, Jin-Feng, Sun

Journal:

Communications in Theoretical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2008

49

MRCI study of spectroscopic and molecular properties of X 1 Σ +g and A 1 Π u electronic states of the C 2 radical

Zhang, Xiao-Niu, Shi, De-Heng, Sun, Jin-Feng, Zhu, Zun-Lue

Journal:

Chinese Physics B

Année:

2011

Langue:

english

Fichier:

PDF, 448 KB

english, 2011

50

Elastic Scattering of Ultracold 133 Cs and 85 Rb Atoms in Triplet State

Jin-Feng, Sun, Qiu-Bo, Hu, Zun-Lue, Zhu, Xiao-Fei, Wang, Ji-Cai, Zhang

Journal:

Communications in Theoretical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 659 KB

english, 2007