-
3
-
-
0004288526
-
-
Lambert, J. B., Takeuchi, Y., Eds.; VCH: New York, Chapter 5
-
Jennings, W. B.; Boyd, D. R. In Cyclic Organonitrogen Stereo-dynamics; Lambert, J. B., Takeuchi, Y., Eds.; VCH: New York, 1992; Chapter 5.
-
(1992)
Cyclic Organonitrogen Stereo-dynamics
-
-
Jennings, W.B.1
Boyd, D.R.2
-
4
-
-
0346602654
-
-
Hassner, A., Ed.; Wiley: New York, Chapter 1
-
Deyrup, J. A. In Small Ring Heterocycles; Hassner, A., Ed.; Wiley: New York, 1983; Vol. 42, Part 1, Chapter 1.
-
(1983)
Small Ring Heterocycles
, vol.42
, Issue.1 PART
-
-
Deyrup, J.A.1
-
5
-
-
0001631913
-
-
Carter, R. E.; Drakenberg, T.; Bergman, N.-Å. J. Am. Chem. Soc. 1975, 97, 6990.
-
(1975)
J. Am. Chem. Soc.
, vol.97
, pp. 6990
-
-
Carter, R.E.1
Drakenberg, T.2
Bergman, N.-Å.3
-
7
-
-
36449006826
-
-
Smedarchina, Z.; Siebrand, W.; Zgierski, M. Z.; Zerbetto, F. J. Chem. Phys. 1995, 102, 7024.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 7024
-
-
Smedarchina, Z.1
Siebrand, W.2
Zgierski, M.Z.3
Zerbetto, F.4
-
8
-
-
1842274408
-
-
Rom, N.; Ryaboy, V.; Moiseyev, N. Chem. Phys. Lett. 1993, 204, 175.
-
(1993)
Chem. Phys. Lett.
, vol.204
, pp. 175
-
-
Rom, N.1
Ryaboy, V.2
Moiseyev, N.3
-
9
-
-
0342704399
-
-
Lehn, J. M.; Munsch, B.; Millie, P.; Veillard, A. Theor. Chim. Acta 1969, 13, 313.
-
(1969)
Theor. Chim. Acta
, vol.13
, pp. 313
-
-
Lehn, J.M.1
Munsch, B.2
Millie, P.3
Veillard, A.4
-
12
-
-
11744275174
-
-
Catalán, J.; Macías, A.; Mo, O.; Yáñez, M. Mol. Phys. 1977, 34, 1429.
-
(1977)
Mol. Phys.
, vol.34
, pp. 1429
-
-
Catalán, J.1
Macías, A.2
Mo, O.3
Yáñez, M.4
-
13
-
-
0042804749
-
-
Dutler, R.; Rauk, A.; Sorensen, T. S. J. Am. Chem. Soc. 1987, 109, 3224.
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 3224
-
-
Dutler, R.1
Rauk, A.2
Sorensen, T.S.3
-
14
-
-
84988084571
-
-
Alkamí, M.; de Paz, J. L. G.; Yáñez, M. J. Comput. Chem. 1989, 10, 468.
-
(1989)
J. Comput. Chem.
, vol.10
, pp. 468
-
-
Alkamí, M.1
De Paz, J.L.G.2
Yáñez, M.3
-
16
-
-
0001220491
-
-
Rauk, A.; Andose, J. D.; Frick, W. G.; Tang, R.; Mislow, K. J. Am. Chem. Soc. 1971, 93, 6507.
-
(1971)
J. Am. Chem. Soc.
, vol.93
, pp. 6507
-
-
Rauk, A.1
Andose, J.D.2
Frick, W.G.3
Tang, R.4
Mislow, K.5
-
17
-
-
37049108366
-
-
Jennings, W. B.; Worley, S. D. J. Chem. Soc., Perkin Trans. 1980, 2, 1512.
-
(1980)
J. Chem. Soc., Perkin Trans.
, vol.2
, pp. 1512
-
-
Jennings, W.B.1
Worley, S.D.2
-
18
-
-
11744306494
-
-
Mitchell, R. W.; Burr, J. C., Jr.; Merritt, J. A. Spectrochim. Acta 1967, 23A, 195.
-
(1967)
Spectrochim. Acta
, vol.23 A
, pp. 195
-
-
Mitchell, R.W.1
Burr Jr., J.C.2
Merritt, J.A.3
-
20
-
-
0000371944
-
-
Komornicki, A.; Pauzat, F.; Ellinger, Y. J. Phys. Chem. 1983, 87, 3847.
-
(1983)
J. Phys. Chem.
, vol.87
, pp. 3847
-
-
Komornicki, A.1
Pauzat, F.2
Ellinger, Y.3
-
21
-
-
0023983446
-
-
Simandiras, E. D.; Amos, R. D.; Handy, N. C.; Lee, T. J.; Rice, J. E.; Remington, R. B.; Schaefer, H. F., III. J. Am. Chem. Soc. 1988, 110, 1388.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 1388
-
-
Simandiras, E.D.1
Amos, R.D.2
Handy, N.C.3
Lee, T.J.4
Rice, J.E.5
Remington, R.B.6
Schaefer III, H.F.7
-
22
-
-
5644298209
-
-
Rauk, A.; Eggimann, T.; Wieser, H.; Yang, D. Can. J. Chem. 1992, 70, 464.
-
(1992)
Can. J. Chem.
, vol.70
, pp. 464
-
-
Rauk, A.1
Eggimann, T.2
Wieser, H.3
Yang, D.4
-
27
-
-
0000026723
-
-
Raghavachari, K.; Stefanov, B. B.; Curtiss, L. A. J. Chem. Phys. 1997, 106, 6764.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 6764
-
-
Raghavachari, K.1
Stefanov, B.B.2
Curtiss, L.A.3
-
29
-
-
0347170005
-
-
Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257.
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
38
-
-
84986444438
-
-
Pople, J. A.; Binkley, J. S.; Seeger, R. Int. J. Quantum Chem. Symp. 1976, 10, 1.
-
(1976)
Int. J. Quantum Chem. Symp.
, vol.10
, pp. 1
-
-
Pople, J.A.1
Binkley, J.S.2
Seeger, R.3
-
39
-
-
84987100611
-
-
Pople, J. A.; Krishnan, R.; Schlegel, H. B.; Binkley, J. S. Int. J. Quantum Chem. Symp. 1979, 13, 225.
-
(1979)
Int. J. Quantum Chem. Symp.
, vol.13
, pp. 225
-
-
Pople, J.A.1
Krishnan, R.2
Schlegel, H.B.3
Binkley, J.S.4
-
41
-
-
0001685342
-
-
Schaefer, H. F., III, Ed.; Plenum: New York
-
Pulay, P. In Modern Theoretical Chemistry; Schaefer, H. F., III, Ed.; Plenum: New York, 1977; Vol. 4, p 153.
-
(1977)
Modern Theoretical Chemistry
, vol.4
, pp. 153
-
-
Pulay, P.1
-
42
-
-
0000626808
-
-
Osamura, Y.; Yamaguchi, Y.; Saxe, P.; Vincent, M. A.; Gaw, J. F.; Schaefer, H. F., III. Chem. Phys. 1982, 72, 131.
-
(1982)
Chem. Phys.
, vol.72
, pp. 131
-
-
Osamura, Y.1
Yamaguchi, Y.2
Saxe, P.3
Vincent, M.A.4
Gaw, J.F.5
Schaefer III, H.F.6
-
43
-
-
0000515817
-
-
Handy, N. C.; Amos, R. D.; Gaw, J. F.; Rice, J. F.; Simandiras, E. D. Chem. Phys. Lett. 1985, 120, 151.
-
(1985)
Chem. Phys. Lett.
, vol.120
, pp. 151
-
-
Handy, N.C.1
Amos, R.D.2
Gaw, J.F.3
Rice, J.F.4
Simandiras, E.D.5
-
44
-
-
0040544712
-
-
Simandiras, E. D.; Handy, N. C.; Amos, R. D. Chem. Phys. Lett. 1987, 133, 324.
-
(1987)
Chem. Phys. Lett.
, vol.133
, pp. 324
-
-
Simandiras, E.D.1
Handy, N.C.2
Amos, R.D.3
-
45
-
-
1542583345
-
-
Jørgensen, P., Simons, J., Eds.; Reidel: Dordrecht
-
Handy, N. C.; Amos, R. D.; Gaw, J. F.; Rice, J. E.; Simandiras, E. D.; Lee, T. J.; Harrison, R. J.; Laidig, W. D.; Fitzgerald, G. B.; Bartlett, R. J. In Geometrical Derivatives of Energy Surfaces and Molecular Properties; Jørgensen, P., Simons, J., Eds.; Reidel: Dordrecht, 1986; p 179.
-
(1986)
Geometrical Derivatives of Energy Surfaces and Molecular Properties
, pp. 179
-
-
Handy, N.C.1
Amos, R.D.2
Gaw, J.F.3
Rice, J.E.4
Simandiras, E.D.5
Lee, T.J.6
Harrison, R.J.7
Laidig, W.D.8
Fitzgerald, G.B.9
Bartlett, R.J.10
-
48
-
-
0001913433
-
-
Löwdin, P.-O., Pullmann, B., Eds.; Reidel: Dordrecht
-
Paldus, J. In New Horizons of Quantum Chemistry: Löwdin, P.-O., Pullmann, B., Eds.; Reidel: Dordrecht, 1983; p 31.
-
(1983)
New Horizons of Quantum Chemistry
, pp. 31
-
-
Paldus, J.1
-
49
-
-
36549101422
-
-
Scuseria, G. E.; Scheiner, A. C.; Lee, T. J.; Rice, J. E.; Schaefer, H. F., III. J. Chem. Phys. 1987, 86, 2881.
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 2881
-
-
Scuseria, G.E.1
Scheiner, A.C.2
Lee, T.J.3
Rice, J.E.4
Schaefer III, H.F.5
-
50
-
-
36549098398
-
-
Scuseria, G. E.; Janssen, C. L.; Schaefer, H. F., III. J. Chem. Phys. 1988, 89, 7382.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 7382
-
-
Scuseria, G.E.1
Janssen, C.L.2
Schaefer III, H.F.3
-
51
-
-
0006244148
-
-
Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
52
-
-
0001126914
-
-
Handy, N. C.; Pople, J. A.; Head-Gordon, M.; Raghavachari, K.; Trucks, G. W. Chem. Phys. Lett. 1989, 164, 185.
-
(1989)
Chem. Phys. Lett.
, vol.164
, pp. 185
-
-
Handy, N.C.1
Pople, J.A.2
Head-Gordon, M.3
Raghavachari, K.4
Trucks, G.W.5
-
53
-
-
0344980861
-
-
Raghavachari, K.; Pople, J. A.; Replogle, E. S.; Head-Gordon, M. J. Phys. Chem. 1990, 94, 5579.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5579
-
-
Raghavachari, K.1
Pople, J.A.2
Replogle, E.S.3
Head-Gordon, M.4
-
54
-
-
5844353509
-
-
East, A. L. L.; Johnson, C. S.; Allen, W. D. J. Chem. Phys. 1993, 98, 1299.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1299
-
-
East, A.L.L.1
Johnson, C.S.2
Allen, W.D.3
-
56
-
-
0002765085
-
-
Laane, J., Dakkouri, M., Veken, B. v. d., Oberhammer, H., Eds.; Kluwer: Dordrecht
-
Allen, W. D.; East, A. L. L.; Császár, A. G. In Structures and Conformations of Non-Rigid Molecules; Laane, J., Dakkouri, M., Veken, B. v. d., Oberhammer, H., Eds.; Kluwer: Dordrecht, 1993; p 343.
-
(1993)
Structures and Conformations of Non-Rigid Molecules
, pp. 343
-
-
Allen, W.D.1
East, A.L.L.2
Császár, A.G.3
-
57
-
-
0000985588
-
-
Nielsen, I. M. B.; Allen, W. D.; Császár, A. G.; Schaefer, H. F., III. J. Chem. Phys. 1997, 107, 1195.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 1195
-
-
Nielsen, I.M.B.1
Allen, W.D.2
Császár, A.G.3
Schaefer III, H.F.4
-
59
-
-
0010922186
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. W. M.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L. Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision B.3; Gaussian, Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision B.3
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.W.M.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Peng, C.Y.16
Ayala, P.Y.17
Chen, W.18
Wong, M.W.19
Andres, J.L.20
Replogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.P.28
Head-Gordon, M.29
Gonzalez, C.30
Pople, J.A.31
more..
-
60
-
-
0001354984
-
-
Colvin, M. E.; Janssen, C. L.; Whiteside, R. A.; Tong, C. H. Theor. Chim. Acta 1993, 84, 301.
-
(1993)
Theor. Chim. Acta
, vol.84
, pp. 301
-
-
Colvin, M.E.1
Janssen, C.L.2
Whiteside, R.A.3
Tong, C.H.4
-
61
-
-
0002957072
-
-
Mattson, T. G., Ed.; ACS Symposium Series 592; American Chemical Society: Washington, DC
-
Janssen, C. L.; Seidl, E. T.; Colvin, M. E. In Parallel Computing in Computational Chemistry; Mattson, T. G., Ed.; ACS Symposium Series 592; American Chemical Society: Washington, DC, 1995; p 47.
-
(1995)
Parallel Computing in Computational Chemistry
, pp. 47
-
-
Janssen, C.L.1
Seidl, E.T.2
Colvin, M.E.3
-
65
-
-
11744253838
-
-
Springer: Berlin, New Series
-
Landolt-Börnstein Structure Data of Free Polyatomic Molecules; Springer: Berlin, 1976; New Series, Vol. II/7.
-
(1976)
Structure Data of Free Polyatomic Molecules
, vol.2
, Issue.7
-
-
-
68
-
-
37049120161
-
-
Drakenberg, T.; Lehn, J. M. J. Chem. Soc., Perkin Trans. 1972, 2, 532.
-
(1972)
J. Chem. Soc., Perkin Trans.
, vol.2
, pp. 532
-
-
Drakenberg, T.1
Lehn, J.M.2
-
69
-
-
0011562075
-
-
George, P.; Trachtman, M.; Bock, C. W.; Brett, A. M. Tetrahedron 1976, 32, 317.
-
(1976)
Tetrahedron
, vol.32
, pp. 317
-
-
George, P.1
Trachtman, M.2
Bock, C.W.3
Brett, A.M.4
-
71
-
-
0000100968
-
JANAF Thermochemical Tables, 3rd ed
-
JANAF Thermochemical Tables, 3rd ed.; J. Phys. Chem. Ref. Data 1985, Suppl. 1, 14.
-
(1985)
J. Phys. Chem. Ref. Data
, Issue.1 SUPPL.
, pp. 14
-
-
|