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Journal of Computational Chemistry

Volumn 4, Issue 3, 1983, Pages 294-301

Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F

(4) Clark, Timothy a Chandrasekhar, Jayaraman a Spitznagel, Günther W a Schleyer, Paul Von Ragué a

a UNIVERSITY OF ERLANGEN NUREMBERG (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84986468715 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.540040303 Document Type: Article

Times cited : (6574)

References (44)

1
- 0001514067
- (a) Part I
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 5609
- Chandrasekhar, J.¹ Andrade, J.G.² Schleyer³

2
- 84986468498
- Stabilization of methyl anions by first-row substituents. The superiority of diffuse function-augmented basis sets for anion calculations
- (b) Part II:,. For other applications of the 4–31+G basis set, see
- (1982) Journal of Computational Chemistry , vol.3 , pp. 363
- Spitznagel, G.W.¹ Clark, T.² Chandrasekhar, J.³ Schleyer⁴

3
- 84949815245
- J. Chem. Soc. Chem. Commun. , vol.1981 , pp. 579
- Clark, T.¹ Schleyer² Houk, K.N.³ Rondan, N.G.⁴

4
- 84949829486
- J. Chem. Soc. Chem. Commun. , vol.1981 , pp. 882
- Schleyer¹ Chandrasekhar, J.² Kos, A.J.³ Clark, T.⁴ Spitznagel, G.W.⁵

5
- 33845556657
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 5612
- Chandrasekhar, J.¹ Andrade, J.G.² Schleyer³

6
- 0000468044
- (1981) Inorg. Chem. , vol.20 , pp. 3663
- Würthwein, E.‐U.¹ Krogh‐Jespersen, M.‐B.² Schleyer³

7
- 0000058116
- (1981) J. Org. Chem. , vol.46 , pp. 4108
- Rondan, N.G.¹ Houk, K.N.² Beak, P.³ Zajdel, W.J.⁴ Chandrasekhar, J.⁵ Schleyer⁶

8
- 0000508981
- For applications of the 3–21+G basis, set, see
- (1982) Chem. Phys. Lett. , vol.85 , pp. 493
- Chandrasekhar, J.¹ Kahn, R.A.² Schleyer³

9
- 84986490233
- Tetrahedron
- Schleyer¹ Kos, A.J.²

10
- 0043288214
- (1977) Mod. Theor. Chem. , vol.4 , pp. 333
- Radom, L.¹

11
- 84913203946
- (1977) Prog. Theor. Org. Chem. , vol.2 , pp. 194
- Hopkinson, A.C.¹

12
- 0001865611
- Theoretical Studies of Negative Molecular Ions
- (1977) Annual Review of Physical Chemistry , vol.28 , pp. 15
- Simons, J.¹

13
- 84971029469
- Structures of simple anions fromab initiomolecular orbital calculations
- (1976) Australian Journal of Chemistry , vol.29 , pp. 1635
- Radom, L.¹

14
- 84943940325
- (1980) Lect. Notes Chem. , vol.16 , pp. 50
- Cársky, P.¹ Urban, M.²

15
- 0038304147
- and ref. 1a
- (1978) J. Am. Chem. Soc. , vol.100 , pp. 2665
- Kollmar, H.¹

16
- 0001869946
- (1977) Mod. Theor. Chem. , vol.3 , pp. 1
- Dunning, T.H.¹ Hay, P.J.²

17
- 36849115659
- Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
- (1971) The Journal of Chemical Physics , vol.54 , pp. 724
- Ditchfield, R.¹ Hehre, W.J.² Pople, J.A.³

18
- 84987059635
- (1975) International Journal of Quantum Chemistry , vol.9 , pp. 229
- Binkley, J.S.¹ Pople, J.A.²

19
- 84986444438
- (1976) Int. J. Quantum Chem. Quantum Chem. Symp. , vol.10 , pp. 1
- Pople, J.A.¹ Binkley, J.S.² Seeger, R.³

20
- 84987093700
- Approximate fourth-order perturbation theory of the electron correlation energy
- (1978) International Journal of Quantum Chemistry , vol.14 , pp. 91
- Krishnan, R.¹ Pople, J.A.²

21
- 33748545144
- (1973) Theor. Chim. Acta , vol.28 , pp. 213
- Hariharan, P.C.¹ Pople, J.A.²

22
- 2442617487
- (1980) J. Am. Chem. Soc. , vol.102 , pp. 939
- Binkley, J.S.¹ Pople, J.A.² Hehre, W.J.³

23
- 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

24
- 0002302717
- (1979) Gas Phase Ion Chem. , vol.2 , pp. 81
- Bartmess, J.E.¹ McIver, R.T.²

25
- 1642577314
- D. R. Stull, H. Prophet, NSRDS‐NBS37, 2nd ed.
- (1971) JANAF Thermochemical Tables

26
- 84912432878
- (1978) Quantum Chemistry Program Exchange , vol.11 , pp. 368
- Binkley, J.S.¹ Whiteside, R.A.² Harikaran, P.C.³ Seeger, R.⁴ Pople, J.A.⁵ Hehre, W.J.⁶ Newton, M.D.⁷

27
- 0001180594
- (1975) J. Chem. Phys. , vol.63 , pp. 3632
- Schlegel, H.B.¹ Wolfe, S.² Bernardi, F.³

28
- 42249095971
- (1968) Comput. J. , vol.10 , pp. 406
- Davidon, W.C.¹

29
- 84986438276
- A Rapidly Convergent Descent Method for Minimization
- (1963) The Computer Journal , vol.6 , pp. 163
- Fletcher, R.¹ Powell, M.J.D.²

30
- 49549139879
- (1975) Chem. Phys. Lett. , vol.34 , pp. 332
- Poppinger, D.¹

31
- 33751054402
- (1975) J. Chem. Phys. , vol.62 , pp. 2921
- Dill, J.D.¹ Pople, J.A.²

32
- 84986441195
- J. S. Binkley, D. J. De Frees, “Carnegie‐Mellon Quantum Chemistry Archive”, 2nd ed., unpublished. Available from Professor Pople.
- (1981)
- Whiteside, R.A.¹ Frisch, M.J.² Schlegel, H.B.³ Raghavachari, K.⁴ Pople, J.A.⁵

33
- 84986509649
- unpublished calculations at Erlangen
- Chandrasekhar, J.¹ Spitznagel, G.W.²

34
- 84986509657
- Hehre, W.J.¹

35
- 84986429424
- Pople, J.A.¹

36
- 0003568278
- (1977) Mod. Theor. Chem. , vol.4 , pp. 29
- Payne, P.W.¹ Allen, L.C.²

37
- 5844422644
- (1981) J. Phys. Chem. , vol.85 , pp. 976
- Eades, R.A.¹ Weil, D.A.² Dixon, D.A.³ Douglass, C.H.⁴

38
- 0037966915
- (1981) J. Mol. Struct. , vol.85 , pp. 397
- Cremaschi, P.¹ Morosi, G.² Simonetta, M.³

39
- 33847798335
- J. Am. Chem. Soc., fb98
- (1976) , pp. 1160
- Sullivan, S.A.¹ Beauchamp, J.L.²

40
- 0000333652
- (1978) J. Am. Chem. Soc. , vol.100 , pp. 3737
- Sullivan, S.A.¹ Sandford, H.² Bauchamp, J.L.³ Ashe, A.J.⁴

41
- 0007867301
- (1974) J. Am. Chem. Soc. , vol.96 , pp. 3595
- Ridge, D.P.¹ Beauchamp, J.L.²

42
- 84943502018
- J. Chem. Soc. Dalton Trans. , vol.1981 , pp. 1219
- Clark, J.A.¹ Emsley, J.² Jones, D.J.³ Overill, R.E.⁴

43
- 0006607545
- The fluoroformate ion, FCO2−. An ion cyclotron resonance study of the gas phase Lewis acidity of carbon dioxide and related isoelectronic species
- (1978) Canadian Journal of Chemistry , vol.56 , pp. 1069
- McMahon, T.B.¹ Northcott, C.J.²

44
- 0011232698
- (1979) J. Am. Chem. Soc. , vol.101 , pp. 3709
- Robbiani, R.¹ Franklin, J.L.²

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