-
1
-
-
0001665880
-
-
S. Saito, K. Kawaguchi, S. Yamamoto, M. Ohishi, H. Suzuki, and N. Kaifu, Astrophys. J. Lett. 317, L115 (1987).
-
(1987)
Astrophys. J. Lett.
, vol.317
-
-
Saito, S.1
Kawaguchi, K.2
Yamamoto, S.3
Ohishi, M.4
Suzuki, H.5
Kaifu, N.6
-
2
-
-
0000217291
-
-
S. Yamamoto, S. Saito, K. Kawaguchi, N. Kaifu, H. Suzuki, and M. Ohishi, Astrophys. J. Lett. 317, L119 (1987).
-
(1987)
Astrophys. J. Lett.
, vol.317
-
-
Yamamoto, S.1
Saito, S.2
Kawaguchi, K.3
Kaifu, N.4
Suzuki, H.5
Ohishi, M.6
-
4
-
-
0000168177
-
-
A. Fuente, J. Cernicharo, A. Barcia, and J. Gomez-Gonzalez, Astron. Astrophys. 231, 151 (1990).
-
(1990)
Astron. Astrophys.
, vol.231
, pp. 151
-
-
Fuente, A.1
Cernicharo, J.2
Barcia, A.3
Gomez-Gonzalez, J.4
-
5
-
-
11944259341
-
-
S. Yamamoto, S. Saito, K. Kawaguchi, Y. Chikada, H. Suzuki, N. Kaifu, S. Ishikawa, and M. Ohishi, Astrophys. J. 361, 318 (1990).
-
(1990)
Astrophys. J.
, vol.361
, pp. 318
-
-
Yamamoto, S.1
Saito, S.2
Kawaguchi, K.3
Chikada, Y.4
Suzuki, H.5
Kaifu, N.6
Ishikawa, S.7
Ohishi, M.8
-
6
-
-
11944268277
-
-
F. J. Lovas, R. D. Suenram, T. Ogata, and S. Yamamoto, Astrophys. J. 399, 325 (1992).
-
(1992)
Astrophys. J.
, vol.399
, pp. 325
-
-
Lovas, F.J.1
Suenram, R.D.2
Ogata, T.3
Yamamoto, S.4
-
12
-
-
12044256619
-
-
Y. Kasai, K. Obi, Y. Ohshima, Y. Hirahara, Y. Endo, K. Kawaguchi, and A. Murakami, Astrophys. J. Lett. 410, L45 (1993).
-
(1993)
Astrophys. J. Lett.
, vol.410
-
-
Kasai, Y.1
Obi, K.2
Ohshima, Y.3
Hirahara, Y.4
Endo, Y.5
Kawaguchi, K.6
Murakami, A.7
-
14
-
-
0000504526
-
-
V. D. Gordon, M. C. McCarthy, A. J. Apponi, and P. Thaddeus, Astrophys. J., Suppl. Ser. 134, 311 (2001).
-
(2001)
Astrophys. J., Suppl. Ser.
, vol.134
, pp. 311
-
-
Gordon, V.D.1
McCarthy, M.C.2
Apponi, A.J.3
Thaddeus, P.4
-
17
-
-
0001276363
-
-
S. Seeger, P. Botschwina, J. Flugge, H. P. Reisenauer, and G. Maier, J. Mol. Struct.: THEOCHEM 109, 213 (1994).
-
(1994)
J. Mol. Struct.: THEOCHEM
, vol.109
, pp. 213
-
-
Seeger, S.1
Botschwina, P.2
Flugge, J.3
Reisenauer, H.P.4
Maier, G.5
-
23
-
-
0000097150
-
-
edited by P. V. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner Wiley, Chichester, UK
-
F. Weinhold, in Encyclopedia of Computational Chemistry, edited by P. V. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner (Wiley, Chichester, UK, 1998), Vol. 3, p. 1792.
-
(1998)
Encyclopedia of Computational Chemistry
, vol.3
, pp. 1792
-
-
Weinhold, F.1
-
26
-
-
10844284992
-
-
note
-
6S) kcal/mol. These energy differences are computed using the optimized geometry of the electronic state of lower energy.
-
-
-
-
32
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 98, Gaussian, Inc., Pittsburgh, PA, 1998.
-
(1998)
GAUSSIAN 98
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
34
-
-
0004321666
-
-
Theoretical Chemistry Institute, University of Wisconsin, Madison
-
E. D. Glendening, J. K. Badenhoop, A. E. Reed, J. E. Carpenter, and F. Weinhold, NBO 4.M (Theoretical Chemistry Institute, University of Wisconsin, Madison, 1999).
-
(1999)
NBO 4.M
-
-
Glendening, E.D.1
Badenhoop, J.K.2
Reed, A.E.3
Carpenter, J.E.4
Weinhold, F.5
-
36
-
-
0011404930
-
-
R. F. W. Bader, A. Streitwieser, A. Neuhaus, K. E. Laidig, and P. Speers, J. Am. Chem. Soc. 118, 4959 (1996).
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 4959
-
-
Bader, R.F.W.1
Streitwieser, A.2
Neuhaus, A.3
Laidig, K.E.4
Speers, P.5
-
40
-
-
0012803036
-
-
J. Poater, M. Sola, M. Duran, and X. Fradera, Theor. Chem. Acc. 107, 362 (2002).
-
(2002)
Theor. Chem. Acc.
, vol.107
, pp. 362
-
-
Poater, J.1
Sola, M.2
Duran, M.3
Fradera, X.4
-
46
-
-
0039280563
-
-
V. Kello, J. Noga, G. H. F. Diercksen, and A. J. Sadlej, Chem. Phys. Lett. 152, 387 (1988).
-
(1988)
Chem. Phys. Lett.
, vol.152
, pp. 387
-
-
Kello, V.1
Noga, J.2
Diercksen, G.H.F.3
Sadlej, A.J.4
-
47
-
-
0036026862
-
-
X. Fradera, J. Poater, S. Simon, M. Duran, and M. Sola, Theor. Chem. Acc. 108, 214 (2002).
-
(2002)
Theor. Chem. Acc.
, vol.108
, pp. 214
-
-
Fradera, X.1
Poater, J.2
Simon, S.3
Duran, M.4
Sola, M.5
-
48
-
-
10844287516
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-
note
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nS compounds can be represented by alternating single bond-triple bond structures.
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-
49
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10844284163
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note
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Bond lengths taken as references were also computed at the B3LYP/6-311G** level.
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