SCOPUS 정보 검색 플랫폼 - 논문 보기

메뉴 건너뛰기

Canadian Journal of Chemistry

Volumn 79, Issue 5-6, 2001, Pages 809-816

A DFT study of Zr-S rotational barriers of (η5-C5H5)2Zr(Cl)(SR); the origin of an inverse steric effect

(3) Das, P K a Alguindigue, S S a Ashby, M T a

a UNIVERSITY OF OKLAHOMA (United States)

Author keywords

Bonding; Dynamics; Metallocene; Misdirected ligands; Structure; Thiolate

Indexed keywords

COMPUTATIONAL METHODS; DERIVATIVES; SULFUR; ZIRCONIUM;

STERIC INTERACTION;

ORGANIC COMPOUNDS;

CHLORINE; LIGAND; SULFUR; THIOLACID; ZIRCONIUM;

ARTICLE; CHEMICAL BINDING; CHEMICAL REACTION; CHEMICAL STRUCTURE; ENTHALPY; REPRODUCIBILITY; STEREOCHEMISTRY; TECHNIQUE; TEMPERATURE;

EID: 0034882188 PISSN: 00084042 EISSN: None Source Type: Journal
DOI: 10.1139/v01-069 Document Type: Article

Times cited : (3)

References (38)

1
- 0000729482
- (1990) Comments Inorg. Chem. , vol.10 , pp. 297
- Ashby, M.T.¹

2
- 0002703891
- (1994) New J. Chem. , vol.18 , pp. 25
- Caulton, K.G.¹

3
- 33845376161
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 730
- Ashby, M.T.¹ Enemark, J.H.²

4
- 33748855338
- (1976) J. Am. Chem. Soc. , vol.98 , pp. 1729
- Lauher, J.W.¹ Hoffmann, R.²

5
- 0004198356
- (1974) J. Am. Chem. Soc. , vol.96 , pp. 2248
- Petersen, J.L.¹ Dahl, L.F.²

6
- 0000548069
- (1991) New J. Chem. , vol.15 , pp. 763
- Simpson, C.Q.¹ Hall, M.B.²

7
- 33748862367
- (1975) J. Am. Chem. Soc. , vol.97 , pp. 6416
- Petersen, J.L.¹ Dahl, L.F.²

8
- 0000371339
- (1975) J. Am. Chem. Soc. , vol.97 , pp. 6422
- Petersen, J.L.¹ Dahl, L.F.²

9
- 0001285325
- (1975) J. Am. Chem. Soc. , vol.97 , pp. 6433
- Petersen, J.L.¹ Lichtenberger, D.L.² Fenske, R.F.³ Dahl, L.F.⁴

10
- 0000871627
- (1989) Organometallics , vol.8 , pp. 1315
- Darensbourg, M.Y.¹ Silva, R.² Reibenspies, J.³ Prout, C.K.⁴

11
- 0000857089
- (1998) Inorg. Chim. Acta , vol.270 , pp. 227
- Ashby, M.T.¹ Alguindigue, S.S.² Khan, M.A.³

12

13

14
- 33751157732
- (1994) J. Phys. Chem. , vol.98 , pp. 11623
- Stephens, P.J.¹ Devlin, F.J.² Chabalowski, C.F.³ Frisch, M.J.⁴

15
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

16
- 0345491105
- (1988) Phys. Rev. B: Condens. Matter , vol.37 , pp. 785
- Lee, C.T.¹ Yang, W.T.² Parr, R.G.³

17
- 0038596731
- (1989) Chem. Phys. Lett. , vol.157 , pp. 200
- Miehlich, B.¹ Savin, A.² Stoll, H.³ Preuss, H.⁴

18
- 0011965942
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 5039
- Pietro, W.J.¹ Francl, M.M.² Hehre, W.J.³ Defrees, D.J.⁴ Pople, J.A.⁵ Binkley, J.S.⁶

19
- 2442617487
- (1980) J. Am. Chem. Soc. , vol.102 , pp. 939
- Binkley, J.S.¹ Pople, J.A.² Hehre, W.J.³

20
- 33845555195
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 2797
- Gordon, M.S.¹ Binkley, J.S.² Pople, J.A.³ Pietro, W.J.⁴ Hehre, W.J.⁵

21
- 0003568278
- Edited by H.F. Schaefer. Plenum, New York
- (1976) Modern theoretical chemistry , vol.1 , pp. 1
- Dunning, J.T.H.¹ Hay, P.J.²

22
- 27344448074
- (1985) J. Chem. Phys. , vol.82 , pp. 299
- Hay, P.J.¹ Wadt, W.R.²

23
- 33745770836
- (1985) J. Chem. Phys. , vol.82 , pp. 270
- Hay, P.J.¹ Wadt, W.R.²

24
- 0006073669
- (1985) J. Chem. Phys. , vol.82 , pp. 284
- Wadt, W.R.¹ Hay, P.J.²

25
- 4243553426
- (1988) Phys. Rev. A: At. Mol. Opt. Phys. , vol.38 , pp. 3098
- Becke, A.D.¹

26
- 6944251055
- (1934) Phys. Rev. A: At. Mol. Opt. Phys. , vol.46 , pp. 618
- Moeller, C.¹ Plesset, M.S.²

27
- 25044455217
- (1988) Chem. Phys. Lett. , vol.153 , pp. 503
- Headgordon, M.¹ Pople, J.A.² Frisch, M.J.³

28
- 0000949944
- (1994) Chem. Phys. Lett. , vol.220 , pp. 122
- Headgordon, M.¹ Headgordon, T.²

29
- 0001006433
- (1990) Chem. Phys. Lett. , vol.166 , pp. 275
- Frisch, M.J.¹ Headgordon, M.² Pople, J.A.³

30
- 0004214970
- (1990) Chem. Phys. Lett. , vol.166 , pp. 281
- Frisch, M.J.¹ Headgordon, M.² Pople, J.A.³

31
- 0002319063
- (1989) Chem. Phys. Lett. , vol.154 , pp. 83
- Saebo, S.¹ Almlof, J.²

32
- 0001652720
- (1994) Organometallics , vol.13 , pp. 236
- Ashby, M.T.¹ Sheshtawy, N.A.²

33
- 0000089457
- (1993) Inorg. Chem. , vol.32 , pp. 3803
- Ashby, M.T.¹ Govindan, G.N.² Grafton, A.K.³

34
- 0141966978
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 2000
- Ashby, M.T.¹

35
- 0000164203
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 4801
- Ashby, M.T.¹ Govindan, G.N.² Grafton, A.K.³

36
- 0000369415
- (2000) Organometallics , vol.19 , pp. 547
- Ashby, M.T.¹ Alguindigue, S.S.² Khan, M.A.³

37
- 0001530066
- (1999) Organometallics , vol.18 , pp. 5112
- Alguindigue, S.S.¹ Khan, M.A.² Ashby, M.T.³

38
- 0001438704
- (1988) Inorg. Chem. , vol.27 , pp. 2513
- Calhorda, M.J.¹ Carrondo, M.² Dias, A.R.³ Frazao, C.F.⁴ Hursthouse, M.B.⁵ Simoes, J.A.M.⁶ Teixeira, C.⁷

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.