-
1
-
-
0142023784
-
-
I.G. Cuesta, R.S. Jartín, A.S. de Merás, P. Lazzeretti, J. chem. Phys., 119, 5518 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 5518
-
-
Cuesta, I.G.1
Jartín, R.S.2
De Merás, A.S.3
Lazzeretti, P.4
-
2
-
-
2342619625
-
-
I.G. Cuesta, R.S. Jartín, A.S. de Merás, P. Lazzeretti, J. chem. Phys., 120, 6542 (2004).
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 6542
-
-
Cuesta, I.G.1
Jartín, R.S.2
De Merás, A.S.3
Lazzeretti, P.4
-
3
-
-
0030457576
-
-
G. Subramanian, P. von Ragué Schleyer, H. Jiao, Angew. Chem. Int. Ed. Engl., 35, 2638 (1996).
-
(1996)
Angew. Chem. Int. Ed. Engl.
, vol.35
, pp. 2638
-
-
Subramanian, G.1
Von Ragué Schleyer, P.2
Jiao, H.3
-
4
-
-
0141876111
-
-
J.W. Emsley, J. Feeney, L.H. Sutcliffe (Eds) Elsevier, Amsterdam
-
P. Lazzeretti, In Progress in Nuclear Magnetic Resonance Spectroscopy, J.W. Emsley, J. Feeney, L.H. Sutcliffe (Eds), Vol. 36, pp. 1-88, Elsevier, Amsterdam (2000).
-
(2000)
Progress in Nuclear Magnetic Resonance Spectroscopy
, vol.36
, pp. 1-88
-
-
Lazzeretti, P.1
-
5
-
-
0035353481
-
-
referecnces therein
-
P. von Ragué Schleyer, Chem. Rev., 101, 1115 (2001) and referecnces therein.
-
(2001)
Chem. Rev.
, vol.101
, pp. 1115
-
-
Von Ragué Schleyer, P.1
-
8
-
-
0002458972
-
-
A. Gobbi, Y. Yamaguchi, G. Frenking, H.F. Schaefer, III, Chem. Phys. Lett., 244, 27 (1995).
-
(1995)
Chem. Phys. Lett.
, vol.244
, pp. 27
-
-
Gobbi, A.1
Yamaguchi, Y.2
Frenking, G.3
Schaefer III, H.F.4
-
9
-
-
33845283454
-
-
S.S. Shaik, P.C. Hiberty, J.-M. Lefour, G. Ohanessian, J. Am. chem. Soc., 109, 363 (1987).
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 363
-
-
Shaik, S.S.1
Hiberty, P.C.2
Lefour, J.-M.3
Ohanessian, G.4
-
10
-
-
0000502724
-
-
P.C. Hiberty, D. Danovich, A. Shurki, S. Shaik, J. Am. chem. Soc., 117, 7760 (1995).
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 7760
-
-
Hiberty, P.C.1
Danovich, D.2
Shurki, A.3
Shaik, S.4
-
11
-
-
0001545022
-
-
S. Shaik, A. Shurki, D. Danovich, P.C. Hiberty, J. molec. Struct. (THEOCHEM), 398/399, 155 (1997).
-
(1997)
J. Molec. Struct. (THEOCHEM)
, vol.398-399
, pp. 155
-
-
Shaik, S.1
Shurki, A.2
Danovich, D.3
Hiberty, P.C.4
-
12
-
-
0001722356
-
-
B. Ma, H.M. Sulzbach, R.B. Remington, H.F. Schaefer, III, J. Am. chem. Soc., 117, 8392 (1995).
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 8392
-
-
Ma, B.1
Sulzbach, H.M.2
Remington, R.B.3
Schaefer III, H.F.4
-
13
-
-
0009718858
-
-
P.-O. Widmark, B.J. Persson, B.O. Roos, Theor. chim. Acta, 79, 419 (1991).
-
(1991)
Theor. Chim. Acta
, vol.79
, pp. 419
-
-
Widmark, P.-O.1
Persson, B.J.2
Roos, B.O.3
-
14
-
-
0003476518
-
Gaussian basis sets for the atoms H-Ne for use in molecular calculations
-
F.B. van Duijneveldt. Gaussian basis sets for the atoms H-Ne for use in molecular calculations, Research Report RJ 945, IBM (1971).
-
(1971)
Research Report RJ 945, IBM
-
-
Van Duijneveldt, F.B.1
-
15
-
-
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, 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, J.A. Pople, Gaussian 94, Revision B.3, Gaussian, Inc., Pittsburgh, PA (1995).
-
(1995)
Gaussian 94, Revision B.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.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
Chen, W.18
Wong, M.W.19
Andres, J.L.20
Replogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.P.28
Head-Gordon, M.29
Gonzalez, C.30
Pople, J.A.31
more..
-
16
-
-
27944484915
-
-
CNR
-
P. Lazzeretti, M. Malagoli, R. Zanasi. Technical report on project 'sistemi informatici e calcolo parallelo', Research Report 1/67, CNR (1991).
-
Technical Report on Project 'Sistemi Informatici e Calcolo Parallelo', Research Report
, vol.1
, Issue.67
, pp. 1991
-
-
Lazzeretti, P.1
Malagoli, M.2
Zanasi, R.3
-
21
-
-
0001407991
-
-
P. Lazzeretti, M. Malagoli, R. Zanasi, Chem. Phys. Lett., 220, 299 (1994).
-
(1994)
Chem. Phys. Lett.
, vol.220
, pp. 299
-
-
Lazzeretti, P.1
Malagoli, M.2
Zanasi, R.3
-
22
-
-
0001560524
-
-
S. Coriani, P. Lazzeretti, M. Malagoli, R. Zanasi, Theor. chim. Acta, 89, 181 (1994).
-
(1994)
Theor. Chim. Acta
, vol.89
, pp. 181
-
-
Coriani, S.1
Lazzeretti, P.2
Malagoli, M.3
Zanasi, R.4
-
23
-
-
36449003853
-
-
R. Zanasi, P. Lazzeretti, M. Malagoli, F. Piccinini, J. chem. Phys., 102, 7150 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 7150
-
-
Zanasi, R.1
Lazzeretti, P.2
Malagoli, M.3
Piccinini, F.4
-
24
-
-
36449002450
-
-
P. Lazzeretti, M. Malagoli, R. Zanasi, J. chem. Phys., 102, 9619 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 9619
-
-
Lazzeretti, P.1
Malagoli, M.2
Zanasi, R.3
-
27
-
-
0031592927
-
-
R. Zanasi, P. Lazzeretti, P.W. Fowler, Chem. Phys. Lett., 278, 251 (1997).
-
(1997)
Chem. Phys. Lett.
, vol.278
, pp. 251
-
-
Zanasi, R.1
Lazzeretti, P.2
Fowler, P.W.3
-
28
-
-
0000719180
-
-
7ème Série
-
F. London, J. Phys. Radium, 8, 397 (1937) (7ème Série).
-
(1937)
J. Phys. Radium
, vol.8
, pp. 397
-
-
London, F.1
-
29
-
-
36549098389
-
-
this is the first reference in which the re-interpretation of the GIAO acronym for gauge-including-atomic-orbitals was proposed; see footnote 6, p. 5047
-
A.E. Hansen, T.D. Bouman, J. chem. Phys., 82, 5035 (1985) (this is the first reference in which the re-interpretation of the GIAO acronym for gauge-including-atomic-orbitals was proposed; see footnote 6, p. 5047).
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 5035
-
-
Hansen, A.E.1
Bouman, T.D.2
-
30
-
-
0003498748
-
-
Dalton
-
T. Helgaker, H.J.A. Jensen, P. Jørgensen, J. Olsen, K. Ruud, H. Ågren, A.A. Auer, T. Andersen, K.L. Bak, V. Bakken, O. Christiansen, S. Coriani, P. Dahle, E.K. Dalskov, T. Enevoldsen, B. Fernandez, C. Hättig, K. Hald, A. Halkier, H. Heiberg, H. Hettema, D. Jonsson, S. Kirpekar, R. Kobayashi, H. Koch, K.V. Mikkelsen, P. Norman, M.J. Packer, T.B. Pedersen, T.A. Ruden, A. Sanchez, T. Saue, S.P.A. Sauer, B. Schimmelpfenning, K.O. Sylvester-Hvid, P.R. Taylor, O. Vahtras, Dalton, An Electronic Structure Program, Release 1.2, Dalton (2001).
-
(2001)
Dalton, An Electronic Structure Program, Release 1.2
-
-
Helgaker, T.1
Jensen, H.J.A.2
Jørgensen, P.3
Olsen, J.4
Ruud, K.5
Ågren, H.6
Auer, A.A.7
Andersen, T.8
Bak, K.L.9
Bakken, V.10
Christiansen, O.11
Coriani, S.12
Dahle, P.13
Dalskov, E.K.14
Enevoldsen, T.15
Fernandez, B.16
Hättig, C.17
Hald, K.18
Halkier, A.19
Heiberg, H.20
Hettema, H.21
Jonsson, D.22
Kirpekar, S.23
Kobayashi, R.24
Koch, H.25
Mikkelsen, K.V.26
Norman, P.27
Packer, M.J.28
Pedersen, T.B.29
Ruden, T.A.30
Sanchez, A.31
Saue, T.32
Sauer, S.P.A.33
Schimmelpfenning, B.34
Sylvester-Hvid, K.O.35
Taylor, P.R.36
Vahtras, O.37
more..
-
32
-
-
0002676948
-
-
Springer, Berlin
-
D.H. Sutter, W.H. Flygare. In Topics in Current Chemistry, Vol. 63, pp. 89-196, Springer, Berlin (1976).
-
(1976)
Topics in Current Chemistry
, vol.63
, pp. 89-196
-
-
Sutter, D.H.1
Flygare, W.H.2
-
33
-
-
0000417392
-
-
J. Hoarau, N. Lumbroso, A. Pacault, C.R. Acad. Sci. (Paris), 242, 1702 (1956).
-
(1956)
C.R. Acad. Sci. (Paris)
, vol.242
, pp. 1702
-
-
Hoarau, J.1
Lumbroso, N.2
Pacault, A.3
-
35
-
-
0037080512
-
-
EPAPS material
-
A. Ligabue, P. Lazzeretti, J. chem. Phys., 116, 964 (2002) (EPAPS material available at: http://www.aip.org/ pubservs/epaps.html).
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 964
-
-
Ligabue, A.1
Lazzeretti, P.2
-
36
-
-
0037028940
-
-
A. Ligabue, A. Soncini, P. Lazzeretti, J. Am. chem. Soc., 124, 2008 (2002).
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 2008
-
-
Ligabue, A.1
Soncini, A.2
Lazzeretti, P.3
|