-
2
-
-
25444435671
-
-
JCPSA6 0021-9606 10.1063/1.2034487.
-
A. Rizzo, C. Cappelli, J. M. Junquera-Hernández, A. M. J. Sánchez de Merás, J. Sánchez-Marín, D. J. D. Wilson, and T. Helgaker, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2034487 123, 114307 (2005).
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 114307
-
-
Rizzo, A.1
Cappelli, C.2
Junquera-Hernández, J.M.3
Sánchez De Merás, A.M.J.4
Sánchez-Marín, J.5
Wilson, D.J.D.6
Helgaker, T.7
-
3
-
-
44649163222
-
-
1090-7807
-
K. Jackowski, M. Jaszuński, B. Kamieński, and M. Wilczek, J. Magn. Reson. 193, 147 (2008). 1090-7807
-
(2008)
J. Magn. Reson.
, vol.193
, pp. 147
-
-
Jackowski, K.1
Jaszuński, M.2
Kamieński, B.3
Wilczek, M.4
-
4
-
-
33646417358
-
-
MOPHAM 0026-8976 10.1080/00268970500539581.
-
A. Antušek and M. Jaszuński, Mol. Phys. MOPHAM 0026-8976 10.1080/00268970500539581 104, 1463 (2006).
-
(2006)
Mol. Phys.
, vol.104
, pp. 1463
-
-
Antušek, A.1
Jaszuński, M.2
-
5
-
-
84990669584
-
-
ACES II Mainz-Austin-Budapest-Version 2005, a quantum chemical program package, written by J. F. Stanton, J. Gauss, J. D. Watts, P. G. Szalay, R. J. Bartlett with contribution from A. A. Auer, D. B. Bernholdt, O. Christiansen, M. E. Harding, M. Heckert, O. Heun, C. Huber, D. Jonsson, J. Juselius, W. J. Lauderdale, T. Metzroth, K. Ruud and the integral packages MOLECULE (J. Almlöf and P. R. Taylor), PROPS (P. R. Taylor), and ABACUS (T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and J. Olsen). See also, IJQSAF 0538-821X 10.1002/qua.560440876, () as well as for the current version.
-
ACES II Mainz-Austin-Budapest-Version 2005, a quantum chemical program package, written by J. F. Stanton, J. Gauss, J. D. Watts, P. G. Szalay, R. J. Bartlett with contribution from A. A. Auer, D. B. Bernholdt, O. Christiansen, M. E. Harding, M. Heckert, O. Heun, C. Huber, D. Jonsson, J. Juselius, W. J. Lauderdale, T. Metzroth, K. Ruud and the integral packages MOLECULE (J. Almlöf and P. R. Taylor), PROPS (P. R. Taylor), and ABACUS (T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and J. Olsen). See also J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett, Int. J. Quantum Chem., Symp. IJQSAF 0538-821X 10.1002/qua.560440876 26, 879 (1992) as well as http://www.aces2.de for the current version.
-
(1992)
Int. J. Quantum Chem., Symp.
, vol.26
, pp. 879
-
-
Stanton, J.F.1
Gauss, J.2
Watts, J.D.3
Lauderdale, W.J.4
Bartlett, R.J.5
-
6
-
-
59349109330
-
-
DALTON, a molecular electronic structure program, Release 2.0, (see).
-
DALTON, a molecular electronic structure program, Release 2.0, 2005 (see http://www.kjemi.uio.no/software/dalton/dalton.html).
-
(2005)
-
-
-
7
-
-
59349109714
-
-
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC08.beta (), written by, with new contributions from, (see).
-
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC08.beta (2008), written by L. Visscher, H. J. Aa. Jensen, and T. Saue, with new contributions from R. Bast, S. Dubillard, K. G. Dyall, U. Ekström, E. Eliav, T. Fleig, A. S. P. Gomes, T. U. Helgaker, J. Henriksson, M. Iliaš, Ch. R. Jacob, S. Knecht, P. Norman, J. Olsen, M. Pernpointner, K. Ruud, P. Sałek, and J. F. Sikkema (see http://dirac.chem.sdu.dk).
-
(2008)
-
-
Visscher, L.1
Jensen, H.J.Aa.2
Saue, T.3
Bast, R.4
Dubillard, S.5
Dyall, K.G.6
Ekström, U.7
Eliav, E.8
Fleig, T.9
Gomes, A.S.P.10
Helgaker, T.U.11
Henriksson, J.12
Iliaš, M.13
Jacob, Ch.R.14
Knecht, S.15
Norman, P.16
Olsen, J.17
Pernpointner, M.18
Ruud, K.19
Sałek, P.20
Sikkema, J.F.21
more..
-
8
-
-
36449001997
-
-
JCPSA6 0021-9606 10.1063/1.469397.
-
J. Gauss and J. F. Stanton, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.469397 102, 251 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 251
-
-
Gauss, J.1
Stanton, J.F.2
-
9
-
-
0000789447
-
-
JCPSA6 0021-9606 10.1063/1.471005.
-
J. Gauss and J. F. Stanton, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.471005 104, 2574 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 2574
-
-
Gauss, J.1
Stanton, J.F.2
-
10
-
-
33746614482
-
-
JCPSA6 0021-9606 10.1063/1.456153.
-
T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.456153 90, 1007 (1989).
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007
-
-
Dunning Jr., T.H.1
-
11
-
-
4143095330
-
-
JCPSA6 0021-9606 10.1063/1.462569.
-
R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.462569 96, 6796 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
12
-
-
36449006587
-
-
JCPSA6 0021-9606 10.1063/1.470645.
-
D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.470645 103, 4572 (1995).
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 4572
-
-
Woon, D.E.1
Dunning Jr., T.H.2
-
13
-
-
0000719180
-
-
JPRAAJ 0368-3842 10.1051/jphysrad:01937008010039700.
-
F. London, J. Phys. Radium JPRAAJ 0368-3842 10.1051/jphysrad: 01937008010039700 8, 397 (1937).
-
(1937)
J. Phys. Radium
, vol.8
, pp. 397
-
-
London, F.1
-
15
-
-
0010115787
-
-
JMOSA3 0022-2852 10.1016/0022-2852(86)90051-2.
-
S. Yamamoto, R. Kuwabara, M. Takami, and K. Kuchitsu, J. Mol. Spectrosc. JMOSA3 0022-2852 10.1016/0022-2852(86)90051-2 115, 333 (1986).
-
(1986)
J. Mol. Spectrosc.
, vol.115
, pp. 333
-
-
Yamamoto, S.1
Kuwabara, R.2
Takami, M.3
Kuchitsu, K.4
-
16
-
-
18644361868
-
-
JCPSA6 0021-9606 10.1063/1.1861872, ();, J. Chem. Phys. 124, 149901(E) (2006). 0021-9606
-
P. Manninen, K. Ruud, P. Lantto, and J. Vaara, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1861872 122, 114107 (2005); P. Manninen, K. Ruud, P. Lantto, and J. Vaara, J. Chem. Phys. 124, 149901(E) (2006). 0021-9606
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 114107
-
-
Manninen, P.1
Ruud, K.2
Lantto, P.3
Vaara, J.4
Manninen, P.5
Ruud, K.6
Lantto, P.7
Vaara, J.8
-
18
-
-
31844449666
-
-
CHPLBC 0009-2614 10.1016/S0009-2614(97)00811-7.
-
J. Gauss and J. F. Stanton, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(97)00811-7 276, 70 (1997).
-
(1997)
Chem. Phys. Lett.
, vol.276
, pp. 70
-
-
Gauss, J.1
Stanton, J.F.2
-
19
-
-
33750048126
-
-
ADNDAT 0092-640X 10.1016/0092-640X(89)90008-9.
-
P. Raghavan, At. Data Nucl. Data Tables ADNDAT 0092-640X 10.1016/0092-640X(89)90008-9 42, 189 (1989).
-
(1989)
At. Data Nucl. Data Tables
, vol.42
, pp. 189
-
-
Raghavan, P.1
-
20
-
-
0003531355
-
-
(Blackwell Science, Oxford).
-
I. Mills, T. Cvitaš, K. Homann, N. Kallay, and K. Kuchitsu, IUPAC, Physical Chemistry Division: Quantities, Units and Symbols in Physical Chemistry (Blackwell Science, Oxford, 1993).
-
(1993)
IUPAC, Physical Chemistry Division: Quantities, Units and Symbols in Physical Chemistry
-
-
Mills, I.1
Cvitaš, T.2
Homann, K.3
Kallay, N.4
Kuchitsu, K.5
-
21
-
-
0035742515
-
-
PACHAS 0033-4545 10.1351/pac200173111795, ();, Magn. Reson. Chem. 40, 489 (2002).
-
R. K. Harris, E. D. Becker, S. M. C. de Menezes, R. Goodfellow, and P. Granger, Pure Appl. Chem. PACHAS 0033-4545 10.1351/pac200173111795 73, 1795 (2001); R. K. Harris, E. D. Becker, S. M. C. de Menezes, R. Goodfellow, and P. Granger, Magn. Reson. Chem. 40, 489 (2002).
-
(2001)
Pure Appl. Chem.
, vol.73
, pp. 1795
-
-
Harris, R.K.1
Becker, E.D.2
De Menezes, S.M.C.3
Goodfellow, R.4
Granger, P.5
Harris, R.K.6
Becker, E.D.7
De Menezes, S.M.C.8
Goodfellow, R.9
Granger, P.10
-
22
-
-
22344447012
-
-
ADNDAT 0092-640X 10.1016/j.adt.2005.04.001.
-
N. J. Stone, At. Data Nucl. Data Tables ADNDAT 0092-640X 10.1016/j.adt.2005.04.001 90, 75 (2005).
-
(2005)
At. Data Nucl. Data Tables
, vol.90
, pp. 75
-
-
Stone, N.J.1
-
24
-
-
22544454504
-
-
0009-2614
-
A. Antušek, K. Jackowski, M. Jaszuński, W. Makulski, and M. Wilczek, Chem. Phys. Lett. 411, 111 (2005). 0009-2614
-
(2005)
Chem. Phys. Lett.
, vol.411
, pp. 111
-
-
Antušek, A.1
Jackowski, K.2
Jaszuński, M.3
Makulski, W.4
Wilczek, M.5
-
25
-
-
33750350838
-
-
JPCAFH 1089-5639 10.1021/jp062557s.
-
W. Makulski, K. Jackowski, A. Antušek, and M. Jaszuński, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp062557s 110, 11462 (2006).
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 11462
-
-
Makulski, W.1
Jackowski, K.2
Antušek, A.3
Jaszuński, M.4
-
27
-
-
18444416991
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.77.1.
-
P. J. Mohr and B. N. Taylor, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.77.1 77, 1 (2005).
-
(2005)
Rev. Mod. Phys.
, vol.77
, pp. 1
-
-
Mohr, P.J.1
Taylor, B.N.2
-
28
-
-
85088255150
-
-
in, edited by G. W. F. Drake (Springer, New York),.
-
G. W. F. Drake, in Springer Handbook of Atomic, Molecular and Optical Physics, edited by, G. W. F. Drake, (Springer, New York, 2006), p. 199.
-
(2006)
Springer Handbook of Atomic, Molecular and Optical Physics
, pp. 199
-
-
Drake, G.W.F.1
|