-
2
-
-
0003678746
-
The proton: Applications to organic chemistry
-
Wasserman, H. H., Ed.; Academic Press: New York
-
Stewart, R. The Proton: Applications to Organic Chemistry: Wasserman, H. H., Ed.; Vol. 46 of Organic Chemistry, A series of Monographs. Academic Press: New York, 1985.
-
(1985)
Organic Chemistry, a Series of Monographs
, vol.46
-
-
Stewart, R.1
-
5
-
-
0010430275
-
-
Chen. F., Schüürmann, G., Eds.; SETAC Press: Pensacola, FL
-
Schüürmann, G. Quantitative Structure - Activity Relationships in Environmental Sciences - VII; Chen. F., Schüürmann, G., Eds.; SETAC Press: Pensacola, FL, 1997; p 225.
-
(1997)
Quantitative Structure - Activity Relationships in Environmental Sciences - VII
, pp. 225
-
-
Schüürmann, G.1
-
7
-
-
33751500123
-
-
Lim, C.; Bashford, D.; Karplus, M. J. Phys. Chem. 1991, 95, 5610.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 5610
-
-
Lim, C.1
Bashford, D.2
Karplus, M.3
-
8
-
-
84962440579
-
-
Richardson, W. H.; Peng, C.; Bashford, D.; Noodleman, L.; Case, D. A. Int. J. Quantum Chem. 1997, 61, 207.
-
(1997)
Int. J. Quantum Chem.
, vol.61
, pp. 207
-
-
Richardson, W.H.1
Peng, C.2
Bashford, D.3
Noodleman, L.4
Case, D.A.5
-
9
-
-
84961976147
-
-
Andzelm, J.; Kölmel, C.; Klamt, A. J. Chem. Phys. 1995, 103, 9312.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 9312
-
-
Andzelm, J.1
Kölmel, C.2
Klamt, A.3
-
10
-
-
84961981283
-
-
Schüürmann, G.; Cossi, M.; Barone, V.; Tomasi, J. J. Phys. Chem. A 1998, 102, 6706.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 6706
-
-
Schüürmann, G.1
Cossi, M.2
Barone, V.3
Tomasi, J.4
-
12
-
-
0000383492
-
-
Reeve, W.: Erikson, C. M.; Aluotto, P. F. Can. J. Chem. 1979, 57, 2747.
-
(1979)
Can. J. Chem.
, vol.57
, pp. 2747
-
-
Reeve, W.1
Erikson, C.M.2
Aluotto, P.F.3
-
18
-
-
84962359221
-
-
Cossi, M.; Barone, V.; Cammi, R.; Tomasi, J. Chem. Phys. Lett. 1996, 255, 327.
-
(1996)
Chem. Phys. Lett.
, vol.255
, pp. 327
-
-
Cossi, M.1
Barone, V.2
Cammi, R.3
Tomasi, J.4
-
19
-
-
0042842703
-
-
note
-
PCM now allows the inclusion of correlation effects by DFT methods and by all post-Hartree - Fock methods present in Gaussian. MP2 and CASSCF optimization have been implemented but are not yet available in public versions of Gaussian.
-
-
-
-
20
-
-
0031553301
-
-
Mennuci, B.; Cancès, E.; Tomasi, J. J. Phys. Chem B 1997, 101, 10506.
-
(1997)
J. Phys. Chem B
, vol.101
, pp. 10506
-
-
Mennuci, B.1
Cancès, E.2
Tomasi, J.3
-
21
-
-
84962476304
-
-
Amovilli, C.; Barone, V.; Cammi, R.; Cancès. E.; Cossi, M.; Mennucci, B.; Pomelli, C. S.; Tomasi, J. Adv. Quantum Chem. 1998, 32, 227.
-
(1998)
Adv. Quantum Chem.
, vol.32
, pp. 227
-
-
Amovilli, C.1
Barone, V.2
Cammi, R.3
Cancès, E.4
Cossi, M.5
Mennucci, B.6
Pomelli, C.S.7
Tomasi, J.8
-
22
-
-
84961981991
-
-
Barone, V.; Cossi, M.; Tomasi, J. J. Chem. Phys. 1997, 107, 3210.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 3210
-
-
Barone, V.1
Cossi, M.2
Tomasi, J.3
-
24
-
-
84986533294
-
-
(b) Floris, F. M.; Tomasi, J.; Pascual-Ahuir, L. J. Compul. Chem. 1991, 12, 784.
-
(1991)
J. Compul. Chem.
, vol.12
, pp. 784
-
-
Floris, F.M.1
Tomasi, J.2
Pascual-Ahuir, L.3
-
25
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Gaussian 94 (Revision E.2), 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.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; 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 E.2)
-
-
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..
-
27
-
-
0001339972
-
-
Adamo, C.; Cossi, M.; Barone, V. J. Comput. Chem. 1997, 18, 1993.
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 1993
-
-
Adamo, C.1
Cossi, M.2
Barone, V.3
-
28
-
-
36449002507
-
-
Curtiss, L. A.; Raghavachari, K.; Pople, J. A. J. Chem. Phys. 1993, 98, 1293.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1293
-
-
Curtiss, L.A.1
Raghavachari, K.2
Pople, J.A.3
-
31
-
-
0003467672
-
-
Wiley-Interscience: New York
-
March, J. Advanced Organic Chemistry - Reactions, Mechanisms and Structure, 4th ed.; Wiley-Interscience: New York, 1992. Bartmess, J. E.; McIver, R. T. J. Am. Chem. Soc. 1997, 99, 4163.
-
(1992)
Advanced Organic Chemistry - Reactions, Mechanisms and Structure, 4th Ed.
-
-
March, J.1
-
32
-
-
0042842701
-
-
March, J. Advanced Organic Chemistry - Reactions, Mechanisms and Structure, 4th ed.; Wiley-Interscience: New York, 1992. Bartmess, J. E.; McIver, R. T. J. Am. Chem. Soc. 1997, 99, 4163.
-
(1997)
J. Am. Chem. Soc.
, vol.99
, pp. 4163
-
-
Bartmess, J.E.1
McIver, R.T.2
-
37
-
-
0000383492
-
-
references therein
-
Reeve, W.; Erickson, C. M.; Aluotto, P. F. Can. J. Chem. 1979, 57, 2747 and references therein.
-
(1979)
Can. J. Chem.
, vol.57
, pp. 2747
-
-
Reeve, W.1
Erickson, C.M.2
Aluotto, P.F.3
-
38
-
-
33751159055
-
-
Chen, J. L.: Noodleman, L.; Case, D. A.; Bashford, D. J. Phys. Chem. 1994, 98, 11059.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11059
-
-
Chen, J.L.1
Noodleman, L.2
Case, D.A.3
Bashford, D.4
-
39
-
-
9944232242
-
-
Cabani, S.; Gianni, P.; Mollica, V.; Lepori, L. J. Sol. Chem. 1981, 10, 563.
-
(1981)
J. Sol. Chem.
, vol.10
, pp. 563
-
-
Cabani, S.1
Gianni, P.2
Mollica, V.3
Lepori, L.4
|