-
1
-
-
0002036257
-
-
and whole Discussion volume "Intramolecular Kinetics"
-
C. S. Parmenter, Faraday Discuss. Chem. Soc. 75, 7 (1983), and whole Discussion volume "Intramolecular Kinetics."
-
(1983)
Faraday Discuss. Chem. Soc.
, vol.75
, pp. 7
-
-
Parmenter, C.S.1
-
3
-
-
0001669757
-
-
Proceedings of the Berlin Conference on Femtosecond Chemistry, Berlin (March 1993), edited by J. Manz and L. Woeste Verlag Chemie, Weinheim, Chap. 27
-
M. Quack, in Femtosecond Chemistry, Proceedings of the Berlin Conference on Femtosecond Chemistry, Berlin (March 1993), edited by J. Manz and L. Woeste (Verlag Chemie, Weinheim, 1994), Chap. 27, pp. 781-818.
-
(1994)
Femtosecond Chemistry
, pp. 781-818
-
-
Quack, M.1
-
10
-
-
0000163663
-
-
T. M. Ticich, T. R. Rizzo, H.-R. Dübal, and F. F. Crim, J. Chem. Phys. 84, 1508 (1986).
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 1508
-
-
Ticich, T.M.1
Rizzo, T.R.2
Dübal, H.-R.3
Crim, F.F.4
-
12
-
-
0001212355
-
-
T. M. Ticich, M. D. Likar, H.-R. Dübal, L. J. Butler, and F. F. Crim, J. Chem. Phys. 87, 5820 (1987).
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5820
-
-
Ticich, T.M.1
Likar, M.D.2
Dübal, H.-R.3
Butler, L.J.4
Crim, F.F.5
-
23
-
-
0005514445
-
-
T. Uzer, B. D. MacDonald, Y. Guan, and D. L. Thompson, Chem. Phys. Lett. 152, 405 (1988).
-
(1988)
Chem. Phys. Lett.
, vol.152
, pp. 405
-
-
Uzer, T.1
MacDonald, B.D.2
Guan, Y.3
Thompson, D.L.4
-
26
-
-
0042286116
-
-
C. Getino, B. G. Sumpter, J. Santamaria, and G. S. Ezra, J. Phys. Chem. 93, 3877 (1989).
-
(1989)
J. Phys. Chem.
, vol.93
, pp. 3877
-
-
Getino, C.1
Sumpter, B.G.2
Santamaria, J.3
Ezra, G.S.4
-
29
-
-
27744498864
-
-
L. Brouwer, C. J. Cobos, J. Troe, H.-R. Dübal, and F. F. Crim, J. Chem. Phys. 86, 6171 (1987).
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 6171
-
-
Brouwer, L.1
Cobos, C.J.2
Troe, J.3
Dübal, H.-R.4
Crim, F.F.5
-
33
-
-
0042087641
-
-
C. Getino, B. G. Sumpter, J. Santamaria, and G. S. Ezra, J. Phys. Chem. 94, 3995 (1990).
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 3995
-
-
Getino, C.1
Sumpter, B.G.2
Santamaria, J.3
Ezra, G.S.4
-
34
-
-
0000981080
-
-
A. Willetts, J. F. Gaw, N. C. Handy, and S. Carter, J. Mol. Spectrosc. 135, 370 (1989).
-
(1989)
J. Mol. Spectrosc.
, vol.135
, pp. 370
-
-
Willetts, A.1
Gaw, J.F.2
Handy, N.C.3
Carter, S.4
-
45
-
-
0000637946
-
-
edited by P. von Ragué Schleyer, N. Allinger, T. Clark, P. A. Kollman, and H. F. Schaefer III Wiley, New York
-
M. Quack and J. Troe, in Encyclopedia of Computational Chemistry, edited by P. von Ragué Schleyer, N. Allinger, T. Clark, P. A. Kollman, and H. F. Schaefer III (Wiley, New York, 1998), Vol. 4, p. 2708.
-
(1998)
Encyclopedia of Computational Chemistry
, vol.4
, pp. 2708
-
-
Quack, M.1
Troe, J.2
-
48
-
-
0026412230
-
-
W. A. Sokalski, J. Lai, N. Luo, S. Sun, M. Shibata, R. Ornstein, and R. Rein, Int. J. Quantum Chem.: Quantum Biology Symposium 18, 61 (1991).
-
(1991)
Int. J. Quantum Chem.: Quantum Biology Symposium
, vol.18
, pp. 61
-
-
Sokalski, W.A.1
Lai, J.2
Luo, N.3
Sun, S.4
Shibata, M.5
Ornstein, R.6
Rein, R.7
-
62
-
-
0002400808
-
-
edited by J. Chela-Flores and F. Raulin Kluwer, Dordrecht
-
A. A. Bakasov, T.-K. Ha, and M. Quack, in Physics of the Origin and Evolution of Life, edited by J. Chela-Flores and F. Raulin (Kluwer, Dordrecht, 1996), p. 287; J. Chem. Phys. 109, 7263 (1998); 110, 6081 (1999).
-
(1996)
Physics of the Origin and Evolution of Life
, pp. 287
-
-
Bakasov, A.A.1
Ha, T.-K.2
Quack, M.3
-
63
-
-
2242452988
-
-
A. A. Bakasov, T.-K. Ha, and M. Quack, in Physics of the Origin and Evolution of Life, edited by J. Chela-Flores and F. Raulin (Kluwer, Dordrecht, 1996), p. 287; J. Chem. Phys. 109, 7263 (1998); 110, 6081 (1999).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 7263
-
-
-
64
-
-
0001507410
-
-
A. A. Bakasov, T.-K. Ha, and M. Quack, in Physics of the Origin and Evolution of Life, edited by J. Chela-Flores and F. Raulin (Kluwer, Dordrecht, 1996), p. 287; J. Chem. Phys. 109, 7263 (1998); 110, 6081 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 6081
-
-
-
66
-
-
0005514330
-
-
D. T. Petkie, T. M. Goyette, J. J. Holton, F. C. D. Lucia, and P. Helminger, J. Mol. Spectrosc. 171, 145 (1995).
-
(1995)
J. Mol. Spectrosc.
, vol.171
, pp. 145
-
-
Petkie, D.T.1
Goyette, T.M.2
Holton, J.J.3
Lucia, F.C.D.4
Helminger, P.5
-
67
-
-
0001616706
-
-
F. Masset, L. Lechuga-Fossat, J.-M. Flaud, C. Camy-Peyret, J. W. C. Johns, B. Carli, M. Carlotti, L. Fusina, and A. Trombetti, J. Phys. (France) 49, 1901 (1988).
-
(1988)
J. Phys. (France)
, vol.49
, pp. 1901
-
-
Masset, F.1
Lechuga-Fossat, L.2
Flaud, J.-M.3
Camy-Peyret, C.4
Johns, J.W.C.5
Carli, B.6
Carlotti, M.7
Fusina, L.8
Trombetti, A.9
-
69
-
-
0002497769
-
-
W. B. Cook, R. H. Hunt, W. N. Shelton, and F. A. Flaherty, J. Mol. Spectrosc. 171, 91 (1995).
-
(1995)
J. Mol. Spectrosc.
, vol.171
, pp. 91
-
-
Cook, W.B.1
Hunt, R.H.2
Shelton, W.N.3
Flaherty, F.A.4
-
70
-
-
0001526739
-
-
A. Perrin, A. Valentin, J.-M. Flaud, C. Camy-Peyret, L. Schriver, A. Schriver, and P. Areas, J. Mol. Spectrosc. 171, 358 (1995).
-
(1995)
J. Mol. Spectrosc.
, vol.171
, pp. 358
-
-
Perrin, A.1
Valentin, A.2
Flaud, J.-M.3
Camy-Peyret, C.4
Schriver, L.5
Schriver, A.6
Areas, P.7
-
71
-
-
3342929854
-
-
C. Camy-Peyret, J.-M. Flaud, J. W. C. Johns, and M. Noel, J. Mol. Spectrosc. 155, 84 (1992).
-
(1992)
J. Mol. Spectrosc.
, vol.155
, pp. 84
-
-
Camy-Peyret, C.1
Flaud, J.-M.2
Johns, J.W.C.3
Noel, M.4
-
72
-
-
0001877003
-
-
W. B. Olson, R. H. Hunt, B. W. Young, A. G. Maki, and J. W. Brault, J. Mol. Spectrosc. 127, 12 (1988).
-
(1988)
J. Mol. Spectrosc.
, vol.127
, pp. 12
-
-
Olson, W.B.1
Hunt, R.H.2
Young, B.W.3
Maki, A.G.4
Brault, J.W.5
-
73
-
-
0002563037
-
-
J. J. Hillman, D. E. Jennings, W. B. Olson, and A. Goldman, J. Mol. Spectrosc. 117, 46 (1986).
-
(1986)
J. Mol. Spectrosc.
, vol.117
, pp. 46
-
-
Hillman, J.J.1
Jennings, D.E.2
Olson, W.B.3
Goldman, A.4
-
74
-
-
36549092530
-
-
J.-M. Flaud, C. Camy-Peyret, J. W. C. Johns, and B. Carli, J. Chem. Phys. 91, 1504 (1989).
-
(1989)
J. Chem. Phys.
, vol.91
, pp. 1504
-
-
Flaud, J.-M.1
Camy-Peyret, C.2
Johns, J.W.C.3
Carli, B.4
-
75
-
-
34248188166
-
-
R. H. Hunt, R. A. Leacock, C. W. Peters, and K. T. Hecht, J. Chem. Phys. 42, 1931 (1965).
-
(1965)
J. Chem. Phys.
, vol.42
, pp. 1931
-
-
Hunt, R.H.1
Leacock, R.A.2
Peters, C.W.3
Hecht, K.T.4
-
78
-
-
0142057674
-
-
M. Bellini, E. Catacchini, P. D. Natale, G. Di Lonardo, L. Fusina, M. Inguscio, and E. Venuti, J. Mol. Spectrosc. 177, 115 (1996).
-
(1996)
J. Mol. Spectrosc.
, vol.177
, pp. 115
-
-
Bellini, M.1
Catacchini, E.2
Natale, P.D.3
Di Lonardo, G.4
Fusina, L.5
Inguscio, M.6
Venuti, E.7
-
81
-
-
23044467446
-
-
A. F. Krupnov, S. P. Belov, G. Winnewisser, J. Behrend, M. Liedtke, R. Schieder, K. M. T. Yamada, and E. Herbst, Z. Naturforsch., A; Phys. Sci. 49, 525 (1994).
-
(1994)
Z. Naturforsch., A; Phys. Sci.
, vol.49
, pp. 525
-
-
Krupnov, A.F.1
Belov, S.P.2
Winnewisser, G.3
Behrend, J.4
Liedtke, M.5
Schieder, R.6
Yamada, K.M.T.7
Herbst, E.8
-
86
-
-
0013004607
-
-
K. Andersson, P.-Å. Malmqvist, B. O. Roos, A. J. Sadlej, and K. Wolinski, J. Phys. Chem. 94, 5483 (1990).
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5483
-
-
Andersson, K.1
Malmqvist, P.-Å.2
Roos, B.O.3
Sadlej, A.J.4
Wolinski, K.5
-
98
-
-
85034533311
-
-
note
-
See AIP Document No. PAPS JCPSA6-111-302905 for 135 pages including 3 tables (3 pages) with optimized potential parameters, a table (33 pages) of all 2639 ab initio points (geometry, pair interaction energy, weighting factor, deviation from analytical fit) that were included in the fit, a table (73 pages) of the 5939 ab initio points (geometry, pair interaction energy) not included in the fit, and a hardcopy of the FORTRAN source code (25 pages) of the analytical representations. Order by PAPS number in the journal reference from American Institute of Physics, Physics Auxiliary Publication Service, Suite 1NO1, 2 Huntington Quadrangle, Melville, NY 11747-4502. Fax: 516-576-2223, e-mail: paps@aip.org. The price is $1.50 for each microfiche (98 pages) or $5.00 for photocopies of up to 30 pages, and $0.15 for each additional page over 30 pages. Airmail additional. Make checks payable to the American Institute of Physics.
-
-
-
-
99
-
-
0010922186
-
-
Gaussian Inc.
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, C. Y. Peng, P. Y. Ayala, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Siewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, GAUSSIAN 94 (Revision C.3), Gaussian Inc., 1995.
-
(1995)
GAUSSIAN 94 (Revision C.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.A.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
Wong, M.W.18
Andres, J.L.19
Replogle, E.S.20
Gomperts, R.21
Martin, R.L.22
Fox, D.J.23
Binkley, J.S.24
Defrees, D.J.25
Baker, J.26
Siewart, J.P.27
Head-Gordon, M.28
Gonzalez, C.29
Pople, J.A.30
more..
-
100
-
-
0003985620
-
-
Dept. of Theor. Chem., Chem. Center, Univ. of Lund
-
K. Andersson, M. P. Fülscher, G. Karlström, R. Lindh, P.-Å. Malmqvist, J. Olsen, B. O. Roos, A. J. Sadlej, M. R. A. Blomberg, P. E. M. Siegbahn, V. Kellö, J. Noga, M. Urban, and P.-O. Widmark, MOLCAS Version 3, Dept. of Theor. Chem., Chem. Center, Univ. of Lund, 1994.
-
(1994)
MOLCAS Version 3
-
-
Andersson, K.1
Fülscher, M.P.2
Karlström, G.3
Lindh, R.4
Malmqvist, P.-Å.5
Olsen, J.6
Roos, B.O.7
Sadlej, A.J.8
Blomberg, M.R.A.9
Siegbahn, P.E.M.10
Kellö, V.11
Noga, J.12
Urban, M.13
Widmark, P.-O.14
-
101
-
-
0003545391
-
-
Institut für Theoretische Chemie, Univ. Stuttgart and School of Chemistry, Univ. of Birmingham
-
H.-J. Werner, P. J. Knowles, J. Almlöf, R. D. Amos, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, S. T. Elbert, C. Hampel, R. Lindh, W. Meyer, A. Nicklass, K. Peterson, R. Pitzer, A. J. Stone, P. R. Taylor, M. E. Mura, P. Pulay, M. Schütz, H. Stoll, and T. Thorsteinsson, MOLPRO Version 96.4, Institut für Theoretische Chemie, Univ. Stuttgart and School of Chemistry, Univ. of Birmingham, 1996.
-
(1996)
MOLPRO Version 96.4
-
-
Werner, H.-J.1
Knowles, P.J.2
Almlöf, J.3
Amos, R.D.4
Berning, A.5
Cooper, D.L.6
Deegan, M.J.O.7
Dobbyn, A.J.8
Eckert, F.9
Elbert, S.T.10
Hampel, C.11
Lindh, R.12
Meyer, W.13
Nicklass, A.14
Peterson, K.15
Pitzer, R.16
Stone, A.J.17
Taylor, P.R.18
Mura, M.E.19
Pulay, P.20
Schütz, M.21
Stoll, H.22
Thorsteinsson, T.23
more..
-
107
-
-
0003754177
-
-
Wiley, New York
-
J. N. Murrell, S. Carter, S. C. Farantos, P. Huxley, and A. J. C. Varandas, Molecular Potential Energy Functions (Wiley, New York, 1984).
-
(1984)
Molecular Potential Energy Functions
-
-
Murrell, J.N.1
Carter, S.2
Farantos, S.C.3
Huxley, P.4
Varandas, A.J.C.5
-
115
-
-
0003474751
-
-
Cambridge University Press, Cambridge
-
W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling, Numerical Recipes-The Art of Scientific Computing (Cambridge University Press, Cambridge, 1986).
-
(1986)
Numerical Recipes-The Art of Scientific Computing
-
-
Press, W.H.1
Flannery, B.P.2
Teukolsky, S.A.3
Vetterling, W.T.4
-
124
-
-
0000170843
-
-
edited by J. M. Bowman and Z. Bačić JAI, Stamford, CT, and literature cited therein
-
M. Quack and M. A. Suhm, in Molecular Clusters, Advances in Molecular Vibrations and Collision Dynamics, edited by J. M. Bowman and Z. Bačić (JAI, Stamford, CT, 1998), Vol. III, p. 205 and literature cited therein.
-
(1998)
Molecular Clusters, Advances in Molecular Vibrations and Collision Dynamics
, vol.3
, pp. 205
-
-
Quack, M.1
Suhm, M.A.2
-
125
-
-
0000939257
-
-
D. H. Zhang, Q. Wu, J. Z. H. Zhang, M. von Dirke, and Z. Bačić, J. Chem. Phys. 102, 2315 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 2315
-
-
Zhang, D.H.1
Wu, Q.2
Zhang, J.Z.H.3
Von Dirke, M.4
Bačić, Z.5
-
127
-
-
0001425115
-
-
B. Fehrensen, D. Luckhaus, and M. Quack, Chem. Phys. Lett. 300, 312 (1999); Z. Phys. Chem. 209, 1 (1999).
-
(1999)
Chem. Phys. Lett.
, vol.300
, pp. 312
-
-
Fehrensen, B.1
Luckhaus, D.2
Quack, M.3
-
128
-
-
0001425115
-
-
B. Fehrensen, D. Luckhaus, and M. Quack, Chem. Phys. Lett. 300, 312 (1999); Z. Phys. Chem. 209, 1 (1999).
-
(1999)
Z. Phys. Chem.
, vol.209
, pp. 1
-
-
-
131
-
-
4243143157
-
-
see this reference also for the history of the local mode concept
-
M. Quack, Annu. Rev. Phys. Chem. 41, 839 (1990), see this reference also for the history of the local mode concept.
-
(1990)
Annu. Rev. Phys. Chem.
, vol.41
, pp. 839
-
-
Quack, M.1
-
140
-
-
36549093512
-
-
K. G. Lubic, T. Amano, H. Uehara, K. Kawaguchi, and E. Hirota, J. Chem. Phys. 81, 4826 (1984).
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 4826
-
-
Lubic, K.G.1
Amano, T.2
Uehara, H.3
Kawaguchi, K.4
Hirota, E.5
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