-
1
-
-
1842361140
-
-
Sulfur Compounds. 198. Part 197: see ref 2
-
Sulfur Compounds. 198. Part 197: see ref 2.
-
-
-
-
2
-
-
1842278393
-
-
Steudel, R.; Kustos, M.; Prenzel, A. Z. Naturforsch. B 1997, 52, 1.
-
(1997)
Z. Naturforsch. B
, vol.52
, pp. 1
-
-
Steudel, R.1
Kustos, M.2
Prenzel, A.3
-
4
-
-
0007817162
-
-
(b) Green, M.; Lown, E. M.; Strausz, O. P. J. Am. Chem. Soc. 1984, 106, 6938.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 6938
-
-
Green, M.1
Lown, E.M.2
Strausz, O.P.3
-
7
-
-
0040833192
-
-
(c) Marsden, D. J.; Oberhammer, H.; Lösking, O.; Willner, H. J. Mol. Struct. 1989, 193, 233.
-
(1989)
J. Mol. Struct.
, vol.193
, pp. 233
-
-
Marsden, D.J.1
Oberhammer, H.2
Lösking, O.3
Willner, H.4
-
9
-
-
1842360177
-
-
(b) Schenk, P. W.; Steudel, R. Angew. Chem. 1964, 76, 97; Angew. Chem., Int. Ed. Engl. 1964, 3, 61.
-
(1964)
Angew. Chem.
, vol.76
, pp. 97
-
-
Schenk, P.W.1
Steudel, R.2
-
10
-
-
85027474926
-
-
(b) Schenk, P. W.; Steudel, R. Angew. Chem. 1964, 76, 97; Angew. Chem., Int. Ed. Engl. 1964, 3, 61.
-
(1964)
Angew. Chem., Int. Ed. Engl.
, vol.3
, pp. 61
-
-
-
11
-
-
36749120801
-
-
(c) Tiemann, E.; Hoeft, J.; Lovas, F. J.; Johnson, D. R. J. Chem. Phys. 1974, 60, 5000.
-
(1974)
J. Chem. Phys.
, vol.60
, pp. 5000
-
-
Tiemann, E.1
Hoeft, J.2
Lovas, F.J.3
Johnson, D.R.4
-
12
-
-
37049102347
-
-
Harpp, D. N.; Steliou, K.; Cheer, C. J. J. Chem. Soc., Chem. Commun. 1980, 825.
-
(1980)
J. Chem. Soc., Chem. Commun.
, pp. 825
-
-
Harpp, D.N.1
Steliou, K.2
Cheer, C.J.3
-
13
-
-
0001592484
-
-
Steudel, R. Angew. Chem. 1975, 87, 683; Angew. Chem., Int. Ed. Engl. 1975, 14, 655.
-
(1975)
Angew. Chem.
, vol.87
, pp. 683
-
-
Steudel, R.1
-
14
-
-
84982371241
-
-
Steudel, R. Angew. Chem. 1975, 87, 683; Angew. Chem., Int. Ed. Engl. 1975, 14, 655.
-
(1975)
Angew. Chem., Int. Ed. Engl.
, vol.14
, pp. 655
-
-
-
16
-
-
0001515838
-
-
(b) West, R. Angew. Chem. 1987, 99, 1231; Angew. Chem., Int. Ed. Engl. 1987, 26, 1201.
-
(1987)
Angew. Chem.
, vol.99
, pp. 1231
-
-
West, R.1
-
17
-
-
9444260260
-
-
(b) West, R. Angew. Chem. 1987, 99, 1231; Angew. Chem., Int. Ed. Engl. 1987, 26, 1201.
-
(1987)
Chem., Int. Ed. Engl.
, vol.26
, pp. 1201
-
-
Angew1
-
18
-
-
33845556264
-
-
Yoshifuji, M.; Shima, I.; Inamoto, N.; Hirotsu, K.; Higuchi, T. J. Am. Chem. Soc. 1981, 103, 4587.
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 4587
-
-
Yoshifuji, M.1
Shima, I.2
Inamoto, N.3
Hirotsu, K.4
Higuchi, T.5
-
20
-
-
0001729291
-
-
Laitinen, R.; Pakkanen, T.; Steudel, R. J. Am. Chem. Soc. 1987, 109, 710.
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 710
-
-
Laitinen, R.1
Pakkanen, T.2
Steudel, R.3
-
22
-
-
85005470381
-
-
Pople, J. A.; Scott, A. P.; Wong, M. W.; Radom, L. Isr. J. Chem. 1993, 33, 345.
-
(1993)
Isr. J. Chem.
, vol.33
, pp. 345
-
-
Pople, J.A.1
Scott, A.P.2
Wong, M.W.3
Radom, L.4
-
23
-
-
0003622711
-
-
Roos, B. O., Ed.; Springer: Berlin
-
For a review on the CASSCF scheme see: Roos, B. O. In Lecture Notes in Quantum Chemistry; Roos, B. O., Ed.; Springer: Berlin, 1992.
-
(1992)
Lecture Notes in Quantum Chemistry
-
-
Roos, B.O.1
-
25
-
-
0009718858
-
-
(b) Widmark, P.-O.; Persson, B. J.; Roos, B. O. Theor. Chim. Acta 1991, 79, 419.
-
(1991)
Theor. Chim. Acta
, vol.79
, pp. 419
-
-
Widmark, P.-O.1
Persson, B.J.2
Roos, B.O.3
-
26
-
-
0003418036
-
-
Yarkony, D. R., Ed.; World Scientific: Singapore
-
Andersson, K.; Roos, B. O. In Modern Electronic Structure Theory; Yarkony, D. R., Ed.; World Scientific: Singapore, 1995; Part I.
-
(1995)
Modern Electronic Structure Theory
, Issue.1 PART
-
-
Andersson, K.1
Roos, B.O.2
-
27
-
-
0004035344
-
-
Langnoff, S. F., Ed.; Kluwer Academic Press: Dordrecht, The Netherlands
-
Lee, T. J.; Scuseria, G. In Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy; Langnoff, S. F., Ed.; Kluwer Academic Press: Dordrecht, The Netherlands, 1995.
-
(1995)
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
-
-
Lee, T.J.1
Scuseria, G.2
-
30
-
-
26544478463
-
-
(c) Ibid. 1986, 33, 3742.
-
(1986)
Phys. Rev. A
, vol.33
, pp. 3742
-
-
-
32
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
Gaussian 94, Revision B.3: Frisch, M. J.; Trucks, G. W..; Schlegel, H. B..; Gill, P. M. W.; 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, Inc., Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision B.3
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.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..
-
33
-
-
0004007159
-
-
University of Lund, Sweden
-
MOLCAS-3: Andersson, K.; Blomberg, M. R. A.; Fülscher, M. P.; Kellö, V.; Lindh, R.; Malmquist, P.-A.; Noga, J.; Olsen, J.; Roos, B. O.; Sadlej, A. J.; Siegbahn, P. E. M.; Urban, M.; Widmark, P.-O., University of Lund, Sweden, 1993.
-
(1993)
MOLCAS-3
-
-
Andersson, K.1
Blomberg, M.R.A.2
Fülscher, M.P.3
Kellö, V.4
Lindh, R.5
Malmquist, P.-A.6
Noga, J.7
Olsen, J.8
Roos, B.O.9
Sadlej, A.J.10
Siegbahn, P.E.M.11
Urban, M.12
Widmark, P.-O.13
-
34
-
-
0001968788
-
-
Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Jensen, J. H.; Koseki, S.; Gordon, M. S.; Nguen, K. A.; Windus, T. L.; Elbert, S. T. QCPE Bull. 1990, 10, 52.
-
(1990)
QCPE Bull.
, vol.10
, pp. 52
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Jensen, J.H.4
Koseki, S.5
Gordon, M.S.6
Nguen, K.A.7
Windus, T.L.8
Elbert, S.T.9
-
35
-
-
84950745033
-
-
MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A. J. Stone, and P. R. Taylor.
-
MOLPRO
-
-
Werner, H.-J.1
Knowles, P.J.2
Almlöf, J.3
Amos, R.D.4
Deegan, M.J.O.5
Elbert, S.T.6
Hampel, C.7
Meyer, W.8
Peterson, K.9
Pitzer, R.10
Stone, A.J.11
Taylor, P.R.12
-
36
-
-
1842282306
-
-
note
-
Total energies, zero point energies, and thermal energies may be obtained from the authors.
-
-
-
-
37
-
-
0010638914
-
-
Hahn, J.; Schmidt, P.; Reinartz, K.; Behrend, J.; Winnewisser, G.; Yamada, K. M. T. Z. Naturforsch. B 1991, 46, 1338.
-
(1991)
Z. Naturforsch. B
, vol.46
, pp. 1338
-
-
Hahn, J.1
Schmidt, P.2
Reinartz, K.3
Behrend, J.4
Winnewisser, G.5
Yamada, K.M.T.6
-
38
-
-
36849103653
-
-
Previous data from electron diffraction and microwave spectroscopy seem to be in error since the angle HSS was found as 91.6 ± 0.3°; see: Winnewisser, G.; Winnewisser, M.; Gordy, W. J. Chem. Phys. 1968, 49, 3465. Winnewisser, M.; Haase, J. Z. Naturforsch. A 1958, 23, 56.
-
(1968)
J. Chem. Phys.
, vol.49
, pp. 3465
-
-
Winnewisser, G.1
Winnewisser, M.2
Gordy, W.3
-
39
-
-
36849103653
-
-
Previous data from electron diffraction and microwave spectroscopy seem to be in error since the angle HSS was found as 91.6 ± 0.3°; see: Winnewisser, G.; Winnewisser, M.; Gordy, W. J. Chem. Phys. 1968, 49, 3465. Winnewisser, M.; Haase, J. Z. Naturforsch. A 1958, 23, 56.
-
(1958)
Z. Naturforsch. A
, vol.23
, pp. 56
-
-
Winnewisser, M.1
Haase, J.2
-
40
-
-
0141743216
-
-
For previous ab initio MO calculations on MeSSMe using smaller basis sets see: (a) Honda, M.; Tajima, M. J. Mol. Struct. 1986, 136, 93. (b) Aida, M.; Nagata, C. Theor. Chim. Acta 1986, 70, 73. (c) Ha, T.-K. J. Mol. Struct.: THEOCHEM 1985, 122, 225. (d) Li, W.-K.; Chiu, S.-W.; Ma, Z.-X.; Liao, C.-L.; Ng, C. Y. J. Chem. Phys. 1993, 99, 8440.
-
(1986)
J. Mol. Struct.
, vol.136
, pp. 93
-
-
Honda, M.1
Tajima, M.2
-
41
-
-
0003110822
-
-
For previous ab initio MO calculations on MeSSMe using smaller basis sets see: (a) Honda, M.; Tajima, M. J. Mol. Struct. 1986, 136, 93. (b) Aida, M.; Nagata, C. Theor. Chim. Acta 1986, 70, 73. (c) Ha, T.-K. J. Mol. Struct.: THEOCHEM 1985, 122, 225. (d) Li, W.-K.; Chiu, S.-W.; Ma, Z.-X.; Liao, C.-L.; Ng, C. Y. J. Chem. Phys. 1993, 99, 8440.
-
(1986)
Theor. Chim. Acta
, vol.70
, pp. 73
-
-
Aida, M.1
Nagata, C.2
-
42
-
-
0009390362
-
-
For previous ab initio MO calculations on MeSSMe using smaller basis sets see: (a) Honda, M.; Tajima, M. J. Mol. Struct. 1986, 136, 93. (b) Aida, M.; Nagata, C. Theor. Chim. Acta 1986, 70, 73. (c) Ha, T.-K. J. Mol. Struct.: THEOCHEM 1985, 122, 225. (d) Li, W.-K.; Chiu, S.-W.; Ma, Z.-X.; Liao, C.-L.; Ng, C. Y. J. Chem. Phys. 1993, 99, 8440.
-
(1985)
J. Mol. Struct.: THEOCHEM
, vol.122
, pp. 225
-
-
Ha, T.-K.1
-
43
-
-
0000750866
-
-
For previous ab initio MO calculations on MeSSMe using smaller basis sets see: (a) Honda, M.; Tajima, M. J. Mol. Struct. 1986, 136, 93. (b) Aida, M.; Nagata, C. Theor. Chim. Acta 1986, 70, 73. (c) Ha, T.-K. J. Mol. Struct.: THEOCHEM 1985, 122, 225. (d) Li, W.-K.; Chiu, S.-W.; Ma, Z.-X.; Liao, C.-L.; Ng, C. Y. J. Chem. Phys. 1993, 99, 8440.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 8440
-
-
Li, W.-K.1
Chiu, S.-W.2
Ma, Z.-X.3
Liao, C.-L.4
Ng, C.Y.5
-
45
-
-
0002226173
-
-
Benson, S. W. Chem. Rev. 1978, 78, 23. See also: Fournier, R.; DePristo, A. E. J. Chem. Phys. 1992, 96, 1183.
-
(1978)
Chem. Rev.
, vol.78
, pp. 23
-
-
Benson, S.W.1
-
46
-
-
36449000190
-
-
Benson, S. W. Chem. Rev. 1978, 78, 23. See also: Fournier, R.; DePristo, A. E. J. Chem. Phys. 1992, 96, 1183.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 1183
-
-
Fournier, R.1
DePristo, A.E.2
-
47
-
-
0000708455
-
-
(a) Review: Block, E. Angew. Chem. 1992, 104, 1158; Angew. Chem., Int. Ed. Engl. 1992, 31, 1135.
-
(1992)
Angew. Chem.
, vol.104
, pp. 1158
-
-
Block, E.1
-
48
-
-
0026756541
-
-
(a) Review: Block, E. Angew. Chem. 1992, 104, 1158; Angew. Chem., Int. Ed. Engl. 1992, 31, 1135.
-
(1992)
Angew. Chem., Int. Ed. Engl.
, vol.31
, pp. 1135
-
-
-
51
-
-
0039391310
-
-
(a) Barnard. D. ; Houseman, T. H.; Porter, M.; Tidd, B. K. J. Chem. Soc., Chem. Commun. 1969, 371.
-
(1969)
J. Chem. Soc., Chem. Commun.
, pp. 371
-
-
Barnard, D.1
Houseman, T.H.2
Porter, M.3
Tidd, B.K.4
-
52
-
-
0007869419
-
-
(b) Baechler, R. D.; Hummel, J. P.; Mislow, K. J. Am. Chem. Soc. 1973, 95, 4442.
-
(1973)
J. Am. Chem. Soc.
, vol.95
, pp. 4442
-
-
Baechler, R.D.1
Hummel, J.P.2
Mislow, K.3
-
56
-
-
84984040429
-
-
Steudel, R.; Passlack-Stephan, S.; Holdt, G. Z. Anorg. Allg. Chem. 1984, 517, 7.
-
(1984)
Z. Anorg. Allg. Chem.
, vol.517
, pp. 7
-
-
Steudel, R.1
Passlack-Stephan, S.2
Holdt, G.3
-
57
-
-
0001886085
-
-
Steudel, R.; Strauss, R.; Koch, L. Angew. Chem. 1985, 97, 58; Angew. Chem., Int. Ed. Engl. 1985, 24, 59.
-
(1985)
Angew. Chem.
, vol.97
, pp. 58
-
-
Steudel, R.1
Strauss, R.2
Koch, L.3
-
58
-
-
0003176969
-
-
Steudel, R.; Strauss, R.; Koch, L. Angew. Chem. 1985, 97, 58; Angew. Chem., Int. Ed. Engl. 1985, 24, 59.
-
(1985)
Angew. Chem., Int. Ed. Engl.
, vol.24
, pp. 59
-
-
-
61
-
-
85178804630
-
-
Blaschette, A.; Näveke, M.; Jones, P. G. Z. Naturforsch. B 1991, 46, 5.
-
(1991)
Z. Naturforsch. B
, vol.46
, pp. 5
-
-
Blaschette, A.1
Näveke, M.2
Jones, P.G.3
-
62
-
-
0000710587
-
-
Steudel, R.; Schmidt, H.; Baumeister, E.; Oberhammer, H.; Koritsanszky, T. J. Phys. Chem. 1995, 99, 8987; Koritsanszky, T.; Buschmann, J.; Luger, P.; Schmidt, H.; Steudel, R. J. Phys. Chem. 1994, 98, 5416.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 8987
-
-
Steudel, R.1
Schmidt, H.2
Baumeister, E.3
Oberhammer, H.4
Koritsanszky, T.5
-
63
-
-
0042225961
-
-
Steudel, R.; Schmidt, H.; Baumeister, E.; Oberhammer, H.; Koritsanszky, T. J. Phys. Chem. 1995, 99, 8987; Koritsanszky, T.; Buschmann, J.; Luger, P.; Schmidt, H.; Steudel, R. J. Phys. Chem. 1994, 98, 5416.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 5416
-
-
Koritsanszky, T.1
Buschmann, J.2
Luger, P.3
Schmidt, H.4
Steudel, R.5
-
65
-
-
1842315707
-
-
Gillbro, T. Phosphorus Sulfur 1978, 4, 133. See also: Bonazzola, L.; Michaut, J.-P.; Roncin, J. J. Phys. Chem. 1989, 93, 639.
-
(1978)
Phosphorus Sulfur
, vol.4
, pp. 133
-
-
Gillbro, T.1
-
66
-
-
0009803496
-
-
Gillbro, T. Phosphorus Sulfur 1978, 4, 133. See also: Bonazzola, L.; Michaut, J.-P.; Roncin, J. J. Phys. Chem. 1989, 93, 639.
-
(1989)
J. Phys. Chem.
, vol.93
, pp. 639
-
-
Bonazzola, L.1
Michaut, J.-P.2
Roncin, J.3
-
67
-
-
0001108546
-
-
Alleres, D. R.; Cooper, D. L.; Cunningham, T. P.; Gerrat, J.; Karadakov, P. B.; Raimondi, M. J. Chem. Soc., Faraday Trans. 1995, 91, 3357.
-
(1995)
J. Chem. Soc., Faraday Trans.
, vol.91
, pp. 3357
-
-
Alleres, D.R.1
Cooper, D.L.2
Cunningham, T.P.3
Gerrat, J.4
Karadakov, P.B.5
Raimondi, M.6
|