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Journal of Molecular Structure

Volumn 565-566, Issue , 2001, Pages 439-448

Ab initio and DFT calculations of structure and vibrational spectra of pyridine and its isotopomers

(2) Szafran, M a Koput, J a

a ADAM MICKIEWICZ UNIVERSITY (Poland)

Author keywords

Geometry; MP2 and DFT calculations; Pyridine; Vibrational spectra

Indexed keywords

PYRIDINE;

ANALYTIC METHOD; CALCULATION; CONFERENCE PAPER; DENSITY; GAS; GEOMETRY; STRUCTURE ANALYSIS; VIBRATION;

EID: 0035972698 PISSN: 00222860 EISSN: None Source Type: Journal
DOI: 10.1016/S0022-2860(00)00934-0 Document Type: Conference Paper

Times cited : (45)

References (32)

1
- 0001954833
- H. Ratajczak, W.J. Orville-Thomas (Eds.), Wiley, Chichester, UK
- (1981) Molecular Interactions , vol.2 , pp. 1
- Zeegers-Huyskens, Th.¹ Huyskens, P.²

2
- 0004877318
- (1976) Rus. Chem. Rev. , vol.45 , pp. 792
- Gur'yanova, E.N.¹ Gol'dshtein, I.P.² Perepelkova, T.I.³

3
- 0942281456
- (1988) J. Mol. Spectrosc. , vol.132 , pp. 492
- Innes, K.K.¹ Ross, I.G.² Moomaw, W.R.³

4
- 0030376853
- (1996) J. Chem. Thermodyn. , vol.28 , pp. 797
- Chirico, R.D.¹ Steele, W.V.² Nguyen, A.³ Klots, T.D.⁴ Knipmeyer, S.E.⁵

5
- 0030371611
- (1996) J. Chem. Thermodyn. , vol.28 , pp. 819
- Chirico, R.D.¹ Steele, W.V.²

6
- 0010884342
- (1984) J. Phys. Chem. , vol.88 , pp. 6067
- Wiberg, K.B.¹ Walters, A.V.² Wong, K.N.³ Colson, S.D.⁴

7
- 0004841215
- (1986) J. Mol. Spectrosc. , vol.117 , pp. 30
- Yamamoto, T.¹ Mitsuchashi, R.² Akiyama, M.³ Kakiuti, Y.⁴

8
- 33751158273
- (1994) J. Phys. Chem. , vol.98 , pp. 1506
- Destexhe, A.¹ Smets, J.² Adamowicz, L.³ Maes, G.⁴

9
- 33748611633
- (1996) J. Phys. Chem. , vol.100 , pp. 6973
- Martin, J.M.L.¹ Van Alsenoy, C.²

10
- 0031574048
- (1997) J. Mol. Struct. , vol.436-437 , pp. 367-437
- Szczepaniak, K.¹ Chabrier, P.² Person, W.B.³ Del Bene, J.E.⁴

11
- 0003092646
- (1977) J. Mol. Struct. , vol.42 , pp. 1
- Mata, F.¹ Quintana, M.J.² Sørensen, G.O.³

12
- 0001170875
- (1987) J. Mol. Struct. , vol.156 , pp. 315
- Pyckhout, W.¹ Horemans, N.² Van Alsenoy, C.³ Geise, H.J.⁴ Rankin, D.W.H.⁵

13
- 84988101446
- (1986) J. Comput. Chem. , pp. 153
- Bock, C.W.¹ Trachtman, M.² George, P.³

14
- 4243956134
- (1996) J. Phys. Chem. , vol.100 , pp. 19273
- Kjaergaard, H.G.¹ Proos, R.J.² Tumbull, D.M.³ Henry, B.H.⁴

15
- 0004133516
- Gaussian, Inc., Pittsburgh PA
- (1994) Gaussian 94, Revision B
- Frisch, M.J.¹ Trucks, G.W.² Head-Gordon, M.³ Gill, P.M.W.⁴ Wong, M.W.⁵ Foresman, J.B.⁶ Johnson, B.G.⁷ Schlegel, H.B.⁸ Robb, M.A.⁹ Replogle, E.S.¹⁰ Gomperts, R.¹¹ Andres, J.L.¹² Raghavachari, K.¹³ Binkley, J.S.¹⁴ Gonzalez, C.¹⁵ Martin, R.L.¹⁶ Fox, D.J.¹⁷ Defrees, D.J.¹⁸ Baker, J.¹⁹ Stewart, J.J.P.²⁰ Pople, J.A.²¹ more..

16
- 6944251055
- (1934) Phys. Rev. , vol.46 , pp. 618
- Møller, C.¹ Plesset, M.S.²

17
- 0003569570
- Oxford University Press, Oxford
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

18
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

19
- 0345491105
- (1987) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

20
- 5944261746
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

21
- 4043083704
- (1986) Phys. Rev. B , vol.34 , pp. 7406
- Perdew, J.P.¹

22
- 0000216001
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

23
- 0000189651
- (1994) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

24
- 0008741211
- (1994) J. Phys. Chem. , vol.98 , pp. 1162
- Stevens, P.J.¹ Devlin, F.J.² Chablowski, C.F.³ Frisch, M.J.⁴

25
- 33746614482
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning T.J., Jr.¹

26
- 0004840398
- PhD dissertation, University of Florida, Gainesville, Fl, USA
- (1989)
- KuBulat, K.¹

27
- 0004870949
- personal communication
- (1989)
- Person, W.B.¹ KuBulat, K.²

28
- 0003035824
- (1974) J. Mol. Struct. , vol.20 , pp. 119
- Sørensen, G.O.¹ Mahler, L.² Rastrup-Andersen, N.³

29
- 0000576137
- (1984) J. Mol. Spectrosc. , vol.104 , pp. 129
- Wong, K.N.¹ Coulson, S.D.²

30
- 84986847308
- (1980) J. Raman Spectrosc. , vol.9 , pp. 90
- DiLella, D.P.¹ Stidham, H.D.²

31
- 84986841316
- (1980) J. Raman Spectrosc. , vol.9 , pp. 239
- DiLella, D.P.¹

32
- 0004871523
- (1980) J. Raman Spectrosc. , vol.9 , pp. 437
- Stidham, H.D.¹ DiLella, D.P.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.