-
4
-
-
36849102728
-
-
P. N. Kuntz, E. M. Nemeth, J. C. Polanyi, S. D. Rosner, and C. E. Young, J. Chem. Phys. 44, 1168 (1966).
-
(1966)
J. Chem. Phys.
, vol.44
, pp. 1168
-
-
Kuntz, P.N.1
Nemeth, E.M.2
Polanyi, J.C.3
Rosner, S.D.4
Young, C.E.5
-
5
-
-
33947290329
-
-
For reviews see (a) C. A. Parr and D. G. Truhlar, J. Phys. Chem. 75, 1844 (1971); (b) D. G. Truhlar and R. E. Wyatt, Adv. Chem. Phys. 36, 141 (1977); (c) G. C. Schatz, Rev. Mod. Phys. 61, 669 (1989).
-
(1971)
J. Phys. Chem.
, vol.75
, pp. 1844
-
-
Parr, C.A.1
Truhlar, D.G.2
-
6
-
-
33947290329
-
-
For reviews see (a) C. A. Parr and D. G. Truhlar, J. Phys. Chem. 75, 1844 (1971); (b) D. G. Truhlar and R. E. Wyatt, Adv. Chem. Phys. 36, 141 (1977); (c) G. C. Schatz, Rev. Mod. Phys. 61, 669 (1989).
-
(1977)
Adv. Chem. Phys.
, vol.36
, pp. 141
-
-
Truhlar, D.G.1
Wyatt, R.E.2
-
7
-
-
0000677365
-
-
For reviews see (a) C. A. Parr and D. G. Truhlar, J. Phys. Chem. 75, 1844 (1971); (b) D. G. Truhlar and R. E. Wyatt, Adv. Chem. Phys. 36, 141 (1977); (c) G. C. Schatz, Rev. Mod. Phys. 61, 669 (1989).
-
(1989)
Rev. Mod. Phys.
, vol.61
, pp. 669
-
-
Schatz, G.C.1
-
9
-
-
0040212006
-
-
edited by G. A. Segal Plenum, New York
-
J. C. Tully, in Semiempirical Methods of Electronic Structure Calculation, Part A: Techniques, edited by G. A. Segal (Plenum, New York, 1977), p. 173.
-
(1977)
Semiempirical Methods of Electronic Structure Calculation, Part A: Techniques
, pp. 173
-
-
Tully, J.C.1
-
10
-
-
37949042675
-
-
edited by R. B. Bernstein Plenum, New York
-
P. J. Kuntz, in Atom-Molecule Collision Theory, edited by R. B. Bernstein (Plenum, New York, 1979), p. 79.
-
(1979)
Atom-Molecule Collision Theory
, pp. 79
-
-
Kuntz, P.J.1
-
15
-
-
0000561390
-
-
A. Yadav, R. M. Jackson, J. J. Holbrook, and A. Warshel, J. Am. Chem. Soc, 113, 4800 (1991).
-
(1991)
J. Am. Chem. Soc
, vol.113
, pp. 4800
-
-
Yadav, A.1
Jackson, R.M.2
Holbrook, J.J.3
Warshel, A.4
-
18
-
-
4243964686
-
-
edited by G. Náray-Szabó and A. Warshel Kluwer Academic, Dordrecht, Chap. 8
-
(c) J. Åqvist, in Computational Approaches to Biochemical Reactivity, edited by G. Náray-Szabó and A. Warshel (Kluwer Academic, Dordrecht, 1997), Chap. 8.
-
(1997)
Computational Approaches to Biochemical Reactivity
-
-
Åqvist, J.1
-
19
-
-
0001645792
-
-
K. Kolmodin, T. Hansson, J. Danielsson, and J. Åqvist, ACS Symp. Ser. 721, 370 (1990).
-
(1990)
ACS Symp. Ser.
, vol.721
, pp. 370
-
-
Kolmodin, K.1
Hansson, T.2
Danielsson, J.3
Åqvist, J.4
-
23
-
-
33751058027
-
-
(d) B. Ma, J.-H. Lii, H. F. Schaefer III, and N. L. Allinger, J. Phys. Chem. 100, 8763 (1996).
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 8763
-
-
Ma, B.1
Lii, J.-H.2
Schaefer H.F. III3
Allinger, N.L.4
-
24
-
-
84986512474
-
-
B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan, and M. Karplus, J. Comput. Chem. 4, 187 (1983).
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
25
-
-
0029633186
-
-
D. A. Pearlman, D. A. Case, J. W. Caldwell, W. S. Ross, T. E. Cheatham III, S. Debolt, D. Ferguson, G. Siebel, and P. A. Kollman, Comput. Phys. Commun. 91, 1 (1995).
-
(1995)
Comput. Phys. Commun.
, vol.91
, pp. 1
-
-
Pearlman, D.A.1
Case, D.A.2
Caldwell, J.W.3
Ross, W.S.4
Cheatham T.E. III5
Debolt, S.6
Ferguson, D.7
Siebel, G.8
Kollman, P.A.9
-
26
-
-
0042041206
-
-
A. K. Rappe, C. J. Casewit, K. S. Colwell, W. A. Goddard III, and W. M. Skiff, J. Am. Chem. Soc. 114, 10024 (1992).
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 10024
-
-
Rappe, A.K.1
Casewit, C.J.2
Colwell, K.S.3
Goddard W.A. III4
Skiff, W.M.5
-
41
-
-
0004003691
-
-
McGraw-Hill, New York
-
E. B. Wilson, Jr., J. C. Decius, and P. C. Cross, Molecular Vibrations (McGraw-Hill, New York, 1955).
-
(1955)
Molecular Vibrations
-
-
Wilson E.B., Jr.1
Decius, J.C.2
Cross, P.C.3
-
42
-
-
0041654308
-
-
University of Minnesota, Minneapolis, MN
-
J . C. Corchado, Y. Kim, J. Villa, J. Xing, and D. G. Truhlar, TINKERATE 8.1.1, University of Minnesota, Minneapolis, MN, 1999.
-
(1999)
Tinkerate 8.1.1
-
-
Corchado, J..C.1
Kim, Y.2
Villa, J.3
Xing, J.4
Truhlar, D.G.5
-
43
-
-
18044402580
-
-
University of Minnesota, Minneapolis, August
-
Y.-Y. Chuang, J. C. Corchado, P. L. Fast, J. Villa, E. L. Coitino, W.-P. Hu, Y.-P. Liu, G. C. Lynch, K. A. Nguyen, C. F. Jackels, M. Z. Gu, I. Rossi, S. Clayton, V. S. Melissas, R. Steckler, B. C. Garrett, A. D. Isaacson, and D. G. Truhlar, POLYRATE 8.1, University of Minnesota, Minneapolis, August, 1998.
-
(1998)
Polyrate 8.1
-
-
Chuang, Y.-Y.1
Corchado, J.C.2
Fast, P.L.3
Villa, J.4
Coitino, E.L.5
Hu, W.-P.6
Liu, Y.-P.7
Lynch, G.C.8
Nguyen, K.A.9
Jackels, C.F.10
Gu, M.Z.11
Rossi, I.12
Clayton, S.13
Melissas, V.S.14
Steckler, R.15
Garrett, B.C.16
Isaacson, A.D.17
Truhlar, D.G.18
-
44
-
-
0003720385
-
-
Washington University School of Medicine, St. Louis, MO
-
J. W. Ponder, TINKER 3.5, Washington University School of Medicine, St. Louis, MO, 1997.
-
(1997)
Tinker 3.5
-
-
Ponder, J.W.1
-
45
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery. K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, 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. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, GAUSSIAN 94, Revision D. 4, Gaussian, Inc., Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision D. 4
-
-
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
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
48
-
-
0000674373
-
-
B. C. Garrett, D. G. Truhlar, R. S. Grev, and A. W. Magnuson, J. Phys. Chem. 84, 1730 (1980).
-
(1980)
J. Phys. Chem.
, vol.84
, pp. 1730
-
-
Garrett, B.C.1
Truhlar, D.G.2
Grev, R.S.3
Magnuson, A.W.4
-
50
-
-
0002000203
-
-
edited by M. Baer CRC Press, Boca Raton
-
D. G. Truhlar, A. D. Isaacson, and B. C. Garrett, in Theory of Chemical Reaction Dynamics, edited by M. Baer (CRC Press, Boca Raton, 1985), Vol. 4, pp. 65-137.
-
(1985)
Theory of Chemical Reaction Dynamics
, vol.4
, pp. 65-137
-
-
Truhlar, D.G.1
Isaacson, A.D.2
Garrett, B.C.3
-
51
-
-
0026914573
-
-
D.-h. Lu, T. N. Truong, V. S. Melissas, G. C. Lynch, Y.-P. Liu, B. C. Garrett, R. Steckler, A. D. Isaacson, S. N. Rai, G. C. Hancock, J. G. Lauderdale, T. Joseph, and D. G. Truhlar, Comput. Phys. Commun. 71, 235 (1992).
-
(1992)
Comput. Phys. Commun.
, vol.71
, pp. 235
-
-
Lu, D.-H.1
Truong, T.N.2
Melissas, V.S.3
Lynch, G.C.4
Liu, Y.-P.5
Garrett, B.C.6
Steckler, R.7
Isaacson, A.D.8
Rai, S.N.9
Hancock, G.C.10
Lauderdale, J.G.11
Joseph, T.12
Truhlar, D.G.13
-
52
-
-
0002150229
-
-
D. G. Truhlar, D.-h. Lu, S. C. Tucker, X. G. Zhao, A. Gonzàlez-Lafont, T. N. Truong, D. Maurice, Y.-P. Liu, and G. C. Lynch, ACS Symp. Ser. 502, 16 (1992).
-
(1992)
ACS Symp. Ser.
, vol.502
, pp. 16
-
-
Truhlar, D.G.1
Lu, D.-H.2
Tucker, S.C.3
Zhao, X.G.4
Gonzàlez-Lafont, A.5
Truong, T.N.6
Maurice, D.7
Liu, Y.-P.8
Lynch, G.C.9
-
53
-
-
0027577788
-
-
T. N. Truong, D.-h. Lu, G. C. Lynch, Y.-P. Liu, V. S. Melissas, J. J. P. Stewart, R. Steckler, B. C. Garreit, A. D. Isaacson, A. Gonzalez-Lafont, S. N. Rai, G. C. Hancock, T. Joseph, and D. G. Truhlar, Comput. Phys. Commun. 75, 143 (1993).
-
(1993)
Comput. Phys. Commun.
, vol.75
, pp. 143
-
-
Truong, T.N.1
Lu, D.-H.2
Lynch, G.C.3
Liu, Y.-P.4
Melissas, V.S.5
Stewart, J.J.P.6
Steckler, R.7
Garreit, B.C.8
Isaacson, A.D.9
Gonzalez-Lafont, A.10
Rai, S.N.11
Hancock, G.C.12
Joseph, T.13
Truhlar, D.G.14
-
54
-
-
79954585410
-
-
Y.-P. Liu, G. C. Lynch, T. N. Truong. D.-h. Lu, D. G. Truhlar, and B. C. Garrett, J. Am. Chem. Soc. 115, 2408 (1993).
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 2408
-
-
Liu, Y.-P.1
Lynch, G.C.2
Truong, T.N.3
Lu, D.-H.4
Truhlar, D.G.5
Garrett, B.C.6
-
55
-
-
0001049015
-
-
Y.-P. Liu, D.-h. Lu, A. Gonzàlez-Lafont, D. G. Truhlar, and B. C. Garrett, J. Am. Chem. Soc. 115, 7806 (1993).
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 7806
-
-
Liu, Y.-P.1
Lu, D.-H.2
Gonzàlez-Lafont, A.3
Truhlar, D.G.4
Garrett, B.C.5
-
58
-
-
0842341771
-
-
M. J. S. Dewar, E. G. Zoebisch, E. F. Healy, and J. J. P. Stewart, J. Am. Chem. Soc. 107, 3902 (1985).
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3902
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Stewart, J.J.P.4
-
60
-
-
0001555303
-
-
W.-P. Hu, Y.-P. Liu, and D. G. Truhlar, J. Chem. Soc., Faraday Trans. 90, 1715 (1994).
-
(1994)
J. Chem. Soc., Faraday Trans.
, vol.90
, pp. 1715
-
-
Hu, W.-P.1
Liu, Y.-P.2
Truhlar, D.G.3
-
64
-
-
0042155169
-
-
University of Minnesota, Minneapolis, Minnesota
-
J. C. Corchado, Y.-Y. Chuang, E. L. Coitiño, and D. G. Truhlar, GAUSSRATE 8.1, University of Minnesota, Minneapolis, Minnesota, 1999.
-
(1999)
Gaussrate 8.1
-
-
Corchado, J.C.1
Chuang, Y.-Y.2
Coitiño, E.L.3
Truhlar, D.G.4
-
65
-
-
0001130248
-
-
C. L. Vila, J. L. Kinsey, J. Ross, and G. C. Schatz, J. Chem. Phys. 70, 2414 (1979).
-
(1979)
J. Chem. Phys.
, vol.70
, pp. 2414
-
-
Vila, C.L.1
Kinsey, J.L.2
Ross, J.3
Schatz, G.C.4
-
66
-
-
33749311351
-
-
B. C. Garrett, D. G. Truhlar, A. F. Wagner, and T. H. Dunning, Jr., J. Chem. Phys. 78, 4400 (1983).
-
(1983)
J. Chem. Phys.
, vol.78
, pp. 4400
-
-
Garrett, B.C.1
Truhlar, D.G.2
Wagner, A.F.3
Dunning T.H., Jr.4
-
68
-
-
0043157157
-
-
Previous work on molecular mechanics for radicals may be useful for such purposes: (a) S. P. So, Mol. Phys. 23, 1147 (1972); (b) M. R. Imam and N. L. Allinger, J. Mol. Struct. 126, 345 (1985): (c) A. L. J. Beckwith and C. H. Schliessen, Tetrahedron Lett. 26, 373 (1985); (d) A. Peyman and H.-D. Beckhaus, J. Comput. Chem. 13, 541 (1992); (e) F. Vila, P. Tordo, D. Siri, and G. Pople, Free Radical Res. Commun. 19 (Suppl. 1), S17 (1993); (f) R. Liu and N. L. Allinger, J. Comput. Chem. 15, 283 (1994); (g) M. Aydley and N. W. A. Geraghty, Tetrahedron Lett. 37, 1641 (1996); (h) M. Pinak, H. Yamaguchi, and R. Osman, J. Radiat. Res. 37, 20 (1996).
-
(1972)
Mol. Phys.
, vol.23
, pp. 1147
-
-
So, S.P.1
-
69
-
-
0010793304
-
-
Previous work on molecular mechanics for radicals may be useful for such purposes: (a) S. P. So, Mol. Phys. 23, 1147 (1972); (b) M. R. Imam and N. L. Allinger, J. Mol. Struct. 126, 345 (1985): (c) A. L. J. Beckwith and C. H. Schliessen, Tetrahedron Lett. 26, 373 (1985); (d) A. Peyman and H.-D. Beckhaus, J. Comput. Chem. 13, 541 (1992); (e) F. Vila, P. Tordo, D. Siri, and G. Pople, Free Radical Res. Commun. 19 (Suppl. 1), S17 (1993); (f) R. Liu and N. L. Allinger, J. Comput. Chem. 15, 283 (1994); (g) M. Aydley and N. W. A. Geraghty, Tetrahedron Lett. 37, 1641 (1996); (h) M. Pinak, H. Yamaguchi, and R. Osman, J. Radiat. Res. 37, 20 (1996).
-
(1985)
J. Mol. Struct.
, vol.126
, pp. 345
-
-
Imam, M.R.1
Allinger, N.L.2
-
70
-
-
0022002432
-
-
Previous work on molecular mechanics for radicals may be useful for such purposes: (a) S. P. So, Mol. Phys. 23, 1147 (1972); (b) M. R. Imam and N. L. Allinger, J. Mol. Struct. 126, 345 (1985): (c) A. L. J. Beckwith and C. H. Schliessen, Tetrahedron Lett. 26, 373 (1985); (d) A. Peyman and H.-D. Beckhaus, J. Comput. Chem. 13, 541 (1992); (e) F. Vila, P. Tordo, D. Siri, and G. Pople, Free Radical Res. Commun. 19 (Suppl. 1), S17 (1993); (f) R. Liu and N. L. Allinger, J. Comput. Chem. 15, 283 (1994); (g) M. Aydley and N. W. A. Geraghty, Tetrahedron Lett. 37, 1641 (1996); (h) M. Pinak, H. Yamaguchi, and R. Osman, J. Radiat. Res. 37, 20 (1996).
-
(1985)
Tetrahedron Lett.
, vol.26
, pp. 373
-
-
Beckwith, A.L.J.1
Schliessen, C.H.2
-
71
-
-
84986483915
-
-
Previous work on molecular mechanics for radicals may be useful for such purposes: (a) S. P. So, Mol. Phys. 23, 1147 (1972); (b) M. R. Imam and N. L. Allinger, J. Mol. Struct. 126, 345 (1985): (c) A. L. J. Beckwith and C. H. Schliessen, Tetrahedron Lett. 26, 373 (1985); (d) A. Peyman and H.-D. Beckhaus, J. Comput. Chem. 13, 541 (1992); (e) F. Vila, P. Tordo, D. Siri, and G. Pople, Free Radical Res. Commun. 19 (Suppl. 1), S17 (1993); (f) R. Liu and N. L. Allinger, J. Comput. Chem. 15, 283 (1994); (g) M. Aydley and N. W. A. Geraghty, Tetrahedron Lett. 37, 1641 (1996); (h) M. Pinak, H. Yamaguchi, and R. Osman, J. Radiat. Res. 37, 20 (1996).
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 541
-
-
Peyman, A.1
Beckhaus, H.-D.2
-
72
-
-
0027735935
-
-
Previous work on molecular mechanics for radicals may be useful for such purposes: (a) S. P. So, Mol. Phys. 23, 1147 (1972); (b) M. R. Imam and N. L. Allinger, J. Mol. Struct. 126, 345 (1985): (c) A. L. J. Beckwith and C. H. Schliessen, Tetrahedron Lett. 26, 373 (1985); (d) A. Peyman and H.-D. Beckhaus, J. Comput. Chem. 13, 541 (1992); (e) F. Vila, P. Tordo, D. Siri, and G. Pople, Free Radical Res. Commun. 19 (Suppl. 1), S17 (1993); (f) R. Liu and N. L. Allinger, J. Comput. Chem. 15, 283 (1994); (g) M. Aydley and N. W. A. Geraghty, Tetrahedron Lett. 37, 1641 (1996); (h) M. Pinak, H. Yamaguchi, and R. Osman, J. Radiat. Res. 37, 20 (1996).
-
(1993)
Free Radical Res. Commun.
, vol.19
, Issue.1 SUPPL.
-
-
Vila, F.1
Tordo, P.2
Siri, D.3
Pople, G.4
-
73
-
-
84986490670
-
-
Previous work on molecular mechanics for radicals may be useful for such purposes: (a) S. P. So, Mol. Phys. 23, 1147 (1972); (b) M. R. Imam and N. L. Allinger, J. Mol. Struct. 126, 345 (1985): (c) A. L. J. Beckwith and C. H. Schliessen, Tetrahedron Lett. 26, 373 (1985); (d) A. Peyman and H.-D. Beckhaus, J. Comput. Chem. 13, 541 (1992); (e) F. Vila, P. Tordo, D. Siri, and G. Pople, Free Radical Res. Commun. 19 (Suppl. 1), S17 (1993); (f) R. Liu and N. L. Allinger, J. Comput. Chem. 15, 283 (1994); (g) M. Aydley and N. W. A. Geraghty, Tetrahedron Lett. 37, 1641 (1996); (h) M. Pinak, H. Yamaguchi, and R. Osman, J. Radiat. Res. 37, 20 (1996).
-
(1994)
J. Comput. Chem.
, vol.15
, pp. 283
-
-
Liu, R.1
Allinger, N.L.2
-
74
-
-
0029961123
-
-
Previous work on molecular mechanics for radicals may be useful for such purposes: (a) S. P. So, Mol. Phys. 23, 1147 (1972); (b) M. R. Imam and N. L. Allinger, J. Mol. Struct. 126, 345 (1985): (c) A. L. J. Beckwith and C. H. Schliessen, Tetrahedron Lett. 26, 373 (1985); (d) A. Peyman and H.-D. Beckhaus, J. Comput. Chem. 13, 541 (1992); (e) F. Vila, P. Tordo, D. Siri, and G. Pople, Free Radical Res. Commun. 19 (Suppl. 1), S17 (1993); (f) R. Liu and N. L. Allinger, J. Comput. Chem. 15, 283 (1994); (g) M. Aydley and N. W. A. Geraghty, Tetrahedron Lett. 37, 1641 (1996); (h) M. Pinak, H. Yamaguchi, and R. Osman, J. Radiat. Res. 37, 20 (1996).
-
(1996)
Tetrahedron Lett.
, vol.37
, pp. 1641
-
-
Aydley, M.1
Geraghty, N.W.A.2
-
75
-
-
0042155170
-
-
Previous work on molecular mechanics for radicals may be useful for such purposes: (a) S. P. So, Mol. Phys. 23, 1147 (1972); (b) M. R. Imam and N. L. Allinger, J. Mol. Struct. 126, 345 (1985): (c) A. L. J. Beckwith and C. H. Schliessen, Tetrahedron Lett. 26, 373 (1985); (d) A. Peyman and H.-D. Beckhaus, J. Comput. Chem. 13, 541 (1992); (e) F. Vila, P. Tordo, D. Siri, and G. Pople, Free Radical Res. Commun. 19 (Suppl. 1), S17 (1993); (f) R. Liu and N. L. Allinger, J. Comput. Chem. 15, 283 (1994); (g) M. Aydley and N. W. A. Geraghty, Tetrahedron Lett. 37, 1641 (1996); (h) M. Pinak, H. Yamaguchi, and R. Osman, J. Radiat. Res. 37, 20 (1996).
-
(1996)
J. Radiat. Res.
, vol.37
, pp. 20
-
-
Pinak, M.1
Yamaguchi, H.2
Osman, R.3
-
86
-
-
0033515394
-
-
(b) S. Dapprich, I. Komáromi, K. S. Byun, K. Morokuma, and M. J. Frisch. J. Mol. Struct.: THEOCHEM 461, 1 (1999).
-
(1999)
J. Mol. Struct.: Theochem
, vol.461
, pp. 1
-
-
Dapprich, S.1
Komáromi, I.2
Byun, K.S.3
Morokuma, K.4
Frisch, M.J.5
|