-
2
-
-
0001092595
-
-
Sato, H.; Hirata, F.; Myers, A.B. J. Phys. Chem. A 1998, 102, 2065.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 2065
-
-
Sato, H.1
Hirata, F.2
Myers, A.B.3
-
3
-
-
0342270045
-
-
Lynden-Bell, R.M.; Kosloff, R.; Ruhman, S.; Danovich, D.; Vala, J. J. Chem. Phys. 1998, 109, 9928.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 9928
-
-
Lynden-Bell, R.M.1
Kosloff, R.2
Ruhman, S.3
Danovich, D.4
Vala, J.5
-
4
-
-
0000341167
-
-
Furuya, K.; Inagaki, Y.; Torii, H.; Furukawa, Y.; Tasumi, M. J. Phys. Chem. A 1998, 102, 8413.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 8413
-
-
Furuya, K.1
Inagaki, Y.2
Torii, H.3
Furukawa, Y.4
Tasumi, M.5
-
5
-
-
0000703624
-
-
Torii, H.; Furuya, K.; Tasumi, M. J. Phys. Chem. A 1998, 102, 8422.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 8422
-
-
Torii, H.1
Furuya, K.2
Tasumi, M.3
-
6
-
-
0034315427
-
-
Furuya, K.; Torii, H.; Furukawa, Y.; Tasumi, M. J. Phys. Chem. A 2000, 104, 11203.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 11203
-
-
Furuya, K.1
Torii, H.2
Furukawa, Y.3
Tasumi, M.4
-
8
-
-
0035826419
-
-
Waterland, M.R.; Stockwell, D.; Kelley, A.M. J. Chem. Phys. 2001, 114, 6249.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 6249
-
-
Waterland, M.R.1
Stockwell, D.2
Kelley, A.M.3
-
9
-
-
0011155829
-
-
note
-
We consider the case of a dilute solution where solute-solute interactions may be neglected. It is sufficient to include only one solute molecule in the Hamiltonian.
-
-
-
-
14
-
-
0000756903
-
-
Torii, H.; Ueno, Y.; Sakamoto, A.; Tasumi, M. J. Phys. Chem. A 1999, 103, 5557.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 5557
-
-
Torii, H.1
Ueno, Y.2
Sakamoto, A.3
Tasumi, M.4
-
19
-
-
0011138236
-
-
note
-
The intramolecular vibrations of the solvent molecules are neglected.
-
-
-
-
21
-
-
0011086498
-
-
note
-
In the case of linear molecules, 4 ≤ l ≤ 5 for librations. The total dimensionality of the intermolecular vibrational motions discussed hereafter should be changed accordingly.
-
-
-
-
22
-
-
84860072197
-
-
Böhm, H.J.; McDonald, I.R.; Madden, P.A. Mol. Phys. 1983, 49, 347.
-
(1983)
Mol. Phys.
, vol.49
, pp. 347
-
-
Böhm, H.J.1
McDonald, I.R.2
Madden, P.A.3
-
23
-
-
36549096509
-
-
Signorini, G.F.; Barrat, J.-L.; Klein, M.L. J. Chem. Phys. 1990, 92, 1294.
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 1294
-
-
Signorini, G.F.1
Barrat, J.-L.2
Klein, M.L.3
-
28
-
-
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
-
31
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Zakrzewski, V.G.; Montgomery, J.A. Jr.; Stratmann, R.E.; Burant, J.C.; Dapprich, S.; Millam, J.M.; Daniels, A.D.; Kudin, K.N.; Strain, M.C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G.A.; Ayala, P.Y.; Cui, Q.; Morokuma, K.; Malick, D.K.; Rabuck, A.D.; Raghavachari, K.; Foresman, J.B.; Cioslowski, J.; Ortiz, J.V.; Baboul, A.G.; Stefanov, B.B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R.L.; Fox, D.J.; Keith, T.; Al-Laham, M.A.; Peng, C.Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P.M.W.; Johnson, B.G.; Chen, W.; Wong, M.W.; Andres, J.L.; Head-Gordon, M.; Replogle, E.S.; Pople, J.A. Gaussian 98, Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.G.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
-
32
-
-
0011084384
-
-
note
-
It should be noted at this point that we may also calculate FMMs from normal modes in a limited frequency range. In that case, it is possible to compare the vibrational patterns of FMMs obtained for different frequency ranges.
-
-
-
-
33
-
-
0011089533
-
-
note
-
-1.
-
-
-
-
34
-
-
37049119326
-
-
Fini, G.; Mirone, P.; Fortunato, B. J. Chem. Soc., Faraday Trans. 2 1973, 69, 1243.
-
(1973)
J. Chem. Soc., Faraday Trans. 2
, vol.69
, pp. 1243
-
-
Fini, G.1
Mirone, P.2
Fortunato, B.3
-
35
-
-
0001099290
-
-
Giorgini, M.G.; Fini, G.; Mirone, P. J. Chem. Phys. 1983, 79, 639.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 639
-
-
Giorgini, M.G.1
Fini, G.2
Mirone, P.3
-
36
-
-
0001420469
-
-
Zerda, T.W.; Thomas, H.D.; Bradley, M.; Jonas, J. J. Chem. Phys. 1987, 86, 3219.
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 3219
-
-
Zerda, T.W.1
Thomas, H.D.2
Bradley, M.3
Jonas, J.4
-
37
-
-
0000343167
-
-
Mortensen, A.; Faurskov Nielsen, O.; Yarwood, J.; Shelley, V. J. Phys. Chem. 1994, 98, 5221.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 5221
-
-
Mortensen, A.1
Faurskov Nielsen, O.2
Yarwood, J.3
Shelley, V.4
-
42
-
-
0001254008
-
-
Torii, H.; Musso, M.; Giorgini, M.G.; Döge, G. Mol. Phys. 1998, 94, 821.
-
(1998)
Mol. Phys.
, vol.94
, pp. 821
-
-
Torii, H.1
Musso, M.2
Giorgini, M.G.3
Döge, G.4
-
43
-
-
0000421383
-
-
Other references on this subject are found in Torii, H. J. Phys. Chem. A 1999, 103, 2843.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 2843
-
-
Torii, H.1
-
46
-
-
0035308550
-
-
Terashima, T.; Shiga, M.; Okazaki, S. J. Chem. Phys. 2001, 114, 5663.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 5663
-
-
Terashima, T.1
Shiga, M.2
Okazaki, S.3
|