-
1
-
-
0025355312
-
-
Anwander, E.-H.-S., Probst, M.-M., Rode, B.-M., 1990. Biopolymers 29A, 757.
-
(1990)
Biopolymers
, vol.29 A
, pp. 757
-
-
Anwander, E.-H.-S.1
Probst, M.-M.2
Rode, B.-M.3
-
2
-
-
2442617487
-
-
Binkley, J.-S., Pople, J.-A., Hehre, W.-J., 1980. J. Am. Chem. Soc. 102, 939.
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 939
-
-
Binkley, J.-S.1
Pople, J.-A.2
Hehre, W.-J.3
-
4
-
-
33748614588
-
-
Burda, J.-V., Šponer, J., Hobza, P., 1996. J. Phys. Chem. 100, 7250.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 7250
-
-
Burda, J.-V.1
Šponer, J.2
Hobza, P.3
-
5
-
-
0031274672
-
-
Burda, J.-V., Šponer, J., Leszczynski, J., Hobza, P., 1997. J. Phys. Chem. B 101, 9670.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 9670
-
-
Burda, J.-V.1
Šponer, J.2
Leszczynski, J.3
Hobza, P.4
-
6
-
-
0014113454
-
-
Christensen, J.-J., Rytting, J.-H., Izatt, R.-M., 1967. J. Phys. Chem. 71, 2700.
-
(1967)
J. Phys. Chem.
, vol.71
, pp. 2700
-
-
Christensen, J.-J.1
Rytting, J.-H.2
Izatt, R.-M.3
-
7
-
-
0030015253
-
-
Colominas, C., Luque, F.-J., Orozco, M., 1996. J. Am. Chem. Soc. 118, 6811.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 6811
-
-
Colominas, C.1
Luque, F.-J.2
Orozco, M.3
-
8
-
-
0002005413
-
-
Cooper, D.-L., Thorsteinsonn, T., Gerratt, J., 1998. Adv. Quant. Chem. 32, 51.
-
(1998)
Adv. Quant. Chem.
, vol.32
, pp. 51
-
-
Cooper, D.-L.1
Thorsteinsonn, T.2
Gerratt, J.3
-
12
-
-
33646461485
-
-
PhD Thesis. University of Milan
-
Famulari, A., 1997. PhD Thesis. University of Milan.
-
(1997)
-
-
Famulari, A.1
-
13
-
-
0013451258
-
-
Famulari, A., Gianinetti, E., Raimondi, M., Sironi, M., 1998a. Intl. J. Quantum Chem. 69, 151.
-
(1998)
Intl. J. Quantum Chem.
, vol.69
, pp. 151
-
-
Famulari, A.1
Gianinetti, E.2
Raimondi, M.3
Sironi, M.4
-
14
-
-
0032221820
-
-
Famulari, A., Gianinetti, E., Raimondi, M., Sironi, M., Vandoni, I., 1998b. Theor. Chem. Accounts 99, 358.
-
(1998)
Theor. Chem. Accounts
, vol.99
, pp. 358
-
-
Famulari, A.1
Gianinetti, E.2
Raimondi, M.3
Sironi, M.4
Vandoni, I.5
-
15
-
-
0000598499
-
-
Gadre, S.-R., Pundik, S.-S., Limaye, A.-C., Rendell, A.-P., 1998. Chem. Commun. 5, 573.
-
(1998)
Chem. Commun.
, vol.5
, pp. 573
-
-
Gadre, S.-R.1
Pundik, S.-S.2
Limaye, A.-C.3
Rendell, A.-P.4
-
16
-
-
0008965120
-
Interaction energies and densities. a quantum theory of atom in molecules insight on the effect of basis set superposition error removal
-
Mezey, P.G., Robertson, B. (Eds.), Kluwer book series. In press
-
Gatti, C., Famulari, A., 1999. Interaction energies and densities. A quantum theory of atom in molecules insight on the effect of basis set superposition error removal. In: Mezey, P.G., Robertson, B. (Eds.), Understanding Chemical Reactivity: Electron, Spin and Momentum Densities and Chemical Reactivity, vol. 2. Kluwer book series. In press.
-
(1999)
Understanding Chemical Reactivity: Electron, Spin and Momentum Densities and Chemical Reactivity
, vol.2
-
-
Gatti, C.1
Famulari, A.2
-
18
-
-
0001758171
-
-
Gianinetti, E., Raimondi, M., Tornaghi, E., 1996. Intl. J. Quantum Chem. 60, 157.
-
(1996)
Intl. J. Quantum Chem.
, vol.60
, pp. 157
-
-
Gianinetti, E.1
Raimondi, M.2
Tornaghi, E.3
-
19
-
-
0001481308
-
-
Gianinetti, E., Vandoni, I., Famulari, A., Raimondi, M., 1998. Adv. Quantum Chem. 31, 251.
-
(1998)
Adv. Quantum Chem.
, vol.31
, pp. 251
-
-
Gianinetti, E.1
Vandoni, I.2
Famulari, A.3
Raimondi, M.4
-
20
-
-
33845555195
-
-
Gordon, M.-S., Binkley, J.-S., Pople, J.-A., Pietro, W.-J., Hehre, W.-J., 1982. J. Am. Chem. Soc. 104, 2797.
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 2797
-
-
Gordon, M.-S.1
Binkley, J.-S.2
Pople, J.-A.3
Pietro, W.-J.4
Hehre, W.-J.5
-
21
-
-
33646457308
-
-
Granowsky, A.-A., 1999. www http://classic.chem.nisu.su gran/gamess index.html
-
(1999)
-
-
Granowsky, A.-A.1
-
22
-
-
0025596909
-
-
Greco, F., Liguori. A., Sindona, G., Uccella, N., 1990. J. Am. Chem. Soc. 112. 9092.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 9092
-
-
Greco, F.1
Liguori, A.2
Sindona, G.3
Uccella, N.4
-
23
-
-
0025649498
-
-
Guschlbauer. W., Chantot, J.-F., Thiele, D., 1990. J. Biomol. Struct. Duiam. 8, 491.
-
(1990)
J. Biomol. Struct. Duiam.
, vol.8
, pp. 491
-
-
Guschlbauer, W.1
Chantot, J.-F.2
Thiele, D.3
-
27
-
-
0030593395
-
-
Hobza, P., Hubálck, F., Kabelác, M., Mejzlik, P., Šponer, J., Vondrášek, J., 1996. Chem. Phys. Lett. 257, 31.
-
(1996)
Chem. Phys. Lett.
, vol.257
, pp. 31
-
-
Hobza, P.1
Hubálck, F.2
Kabelác, M.3
Mejzlik, P.4
Šponer, J.5
Vondrášek, J.6
-
28
-
-
0343213055
-
-
Hobza, P., Kabclác, M., Mejzlik, P., Šponer, J., Vondrášek, J., 1997. J. Comput. Chem. 18, 1136.
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 1136
-
-
Hobza, P.1
Kabclác, M.2
Mejzlik, P.3
Šponer, J.4
Vondrášek, J.5
-
31
-
-
0027464613
-
-
Jean, Y.-C, Gao, Y.-G., Wang, A.-H., 1993. J. Biochem. 32, 381.
-
(1993)
J. Biochem.
, vol.32
, pp. 381
-
-
Jean, Y.-C.1
Gao, Y.-G.2
Wang, A.-H.3
-
33
-
-
17644437116
-
-
Kornilova, S.-V., Miskovsky, P., Tomkova, A., Kapinos, L.-E., Hackl, E.-V., Andrushchenko, V.-V., Grigoriev, D.-N., Blagoi, Y.-P., 1997. J. Mol. Struct. 408/409, 219.
-
(1997)
J. Mol. Struct.
, vol.408-409
, pp. 219
-
-
Kornilova, S.-V.1
Miskovsky, P.2
Tomkova, A.3
Kapinos, L.-E.4
Hackl, E.-V.5
Andrushchenko, V.-V.6
Grigoriev, D.-N.7
Blagoi, Y.-P.8
-
34
-
-
0025609362
-
-
Langlais, M., Tajmir-Riahi, H.-A., Savoie, R., 1990. Biopolymers 30, 743.
-
(1990)
Biopolymers
, vol.30
, pp. 743
-
-
Langlais, M.1
Tajmir-Riahi, H.-A.2
Savoie, R.3
-
36
-
-
84914751407
-
-
Lias, S.-G., Liebmann, J.-F., Levin, R.D., 1984. J. Phys. Chem. Ref. Data 13, 695.
-
(1984)
J. Phys. Chem. Ref. Data
, vol.13
, pp. 695
-
-
Lias, S.-G.1
Liebmann, J.-F.2
Levin, R.D.3
-
37
-
-
0015916477
-
-
Mansy, S., Rosenberg, B., Thomson, A.-J., 1973. J. Am. Chem. Soc. 95, 1633.
-
(1973)
J. Am. Chem. Soc.
, vol.95
, pp. 1633
-
-
Mansy, S.1
Rosenberg, B.2
Thomson, A.-J.3
-
39
-
-
0003394271
-
-
University of Birmingham
-
Werner, H.-J., Knowles, P.-J., Amos, R.-D., Berning, A., Cooper, D.-L., Deegan, M.-J.-O.A., Dobbyn, J., Eckert, F., Hampel, C., Leininger, T., Lindh, R., Lloyd, A.-W., Meyer, W., Mura, M.-E., Nicklass, A., Palmieri, P., Peterson, K., Pitzer, R., Pulay, P., Rauhut, G., Schütz, M., Stoll, H., Stone, A.J., Thorsteinsson, T., 1998. MOLPRO (package of programs). University of Birmingham.
-
(1998)
MOLPRO (Package of Programs)
-
-
Werner, H.-J.1
Knowles, P.-J.2
Amos, R.-D.3
Berning, A.4
Cooper, D.-L.5
Deegan, M.-J.-O.A.6
Dobbyn, J.7
Eckert, F.8
Hampel, C.9
Leininger, T.10
Lindh, R.11
Lloyd, A.-W.12
Meyer, W.13
Mura, M.-E.14
Nicklass, A.15
Palmieri, P.16
Peterson, K.17
Pitzer, R.18
Pulay, P.19
Rauhut, G.20
Schütz, M.21
Stoll, H.22
Stone, A.J.23
Thorsteinsson, T.24
more..
-
40
-
-
33646461939
-
-
in press
-
Pelmenschikov, A., Zilberberg, I.-L., Leszczynski, J., Famulari. A., Sironi, M., Raimondi, M., 1999. Chem. Phys. Lett., in press.
-
(1999)
Chem. Phys. Lett.
-
-
Pelmenschikov, A.1
Zilberberg, I.-L.2
Leszczynski, J.3
Famulari, A.4
Sironi, M.5
Raimondi, M.6
-
44
-
-
33646461629
-
Modification of Roothaan equations for the ab-initio calculation of Interactions in Large Molecular Systems in the absence of Basis Set Superposition Error
-
Leszczynski, J. (Ed.), In press
-
Raimondi, M., Famulari, A., Gianinetti, E., Sironi, M., Moroni, F., 1999. Modification of Roothaan equations for the ab-initio calculation of Interactions in Large Molecular Systems in the absence of Basis Set Superposition Error. In: Leszczynski, J. (Ed.), Large-Scale Scientific Computations (WLSSC'99). In press.
-
(1999)
Large-scale Scientific Computations (WLSSC'99)
-
-
Raimondi, M.1
Famulari, A.2
Gianinetti, E.3
Sironi, M.4
Moroni, F.5
-
48
-
-
84893169025
-
-
Schmidt, M.-W., Baldridge, K.,-K., Boatz, J.-A., et al., 1993. J. Computat. Chem. 14, 1347.
-
(1993)
J. Computat. Chem.
, vol.14
, pp. 1347
-
-
Schmidt, M.-W.1
Baldridge, K.-K.2
Boatz, J.-A.3
-
50
-
-
30244527819
-
-
Simon, S., Duran, M., Dannenberg, J.-J., 1996. J. Chem. Phys. 105, 11024.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 11024
-
-
Simon, S.1
Duran, M.2
Dannenberg, J.-J.3
-
51
-
-
0345631645
-
-
Šponer, J., Burda, J.-V., Sabat, M., Leszczynski, J., Hobza, P., 1998. J. Phys. Chem. A 102, 5951.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 5951
-
-
Šponer, J.1
Burda, J.-V.2
Sabat, M.3
Leszczynski, J.4
Hobza, P.5
-
52
-
-
0029788346
-
-
Šponer, J., Leszczynski, J., Hobza, P., 1996a. J. Biomol. Struct. Dynam. 14, 117.
-
(1996)
J. Biomol. Struct. Dynam.
, vol.14
, pp. 117
-
-
Šponer, J.1
Leszczynski, J.2
Hobza, P.3
-
53
-
-
0011824888
-
-
Šponer, J., Leszczynski, J., Hobza, P., 1996b. J. Phys. Chem. 100, 1965.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 1965
-
-
Šponer, J.1
Leszczynski, J.2
Hobza, P.3
-
54
-
-
33748621478
-
-
Šponer, J., Leszczynski, J., Hobza, P., 1996c. J. Phys. Chem. 100, 5590.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 5590
-
-
Šponer, J.1
Leszczynski, J.2
Hobza, P.3
-
55
-
-
0029998770
-
-
Šponer, J., Leszczynski, J., Vetterl, V., Hobza. P., 1996d. J. Biomol. Struct. Dynam. 13, 695.
-
(1996)
J. Biomol. Struct. Dynam.
, vol.13
, pp. 695
-
-
Šponer, J.1
Leszczynski, J.2
Vetterl, V.3
Hobza, P.4
-
58
-
-
0000521928
-
-
Thorsteinsonn, T., Cooper, D.-L., Gerratt, J., Karadakov, P.-B., Raimondi, M., 1996. Theor. Chim. Acta 93, 343.
-
(1996)
Theor. Chim. Acta
, vol.93
, pp. 343
-
-
Thorsteinsonn, T.1
Cooper, D.-L.2
Gerratt, J.3
Karadakov, P.-B.4
Raimondi, M.5
-
59
-
-
0000835329
-
-
Thorsteinsonn, T., Cooper, D.-L., Gerratt, J., Raimondi, M., 1997. Theor. Chim. Acta 95, 131.
-
(1997)
Theor. Chim. Acta
, vol.95
, pp. 131
-
-
Thorsteinsonn, T.1
Cooper, D.-L.2
Gerratt, J.3
Raimondi, M.4
-
62
-
-
0003418034
-
-
Oxford University Press, Oxford
-
Yamaguchi, Y., Osanura, Y., Goddard, J.-D., Schaefer, H.-F., 1994. In A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory. Oxford University Press, Oxford.
-
(1994)
A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory
-
-
Yamaguchi, Y.1
Osanura, Y.2
Goddard, J.-D.3
Schaefer, H.-F.4
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