-
1
-
-
0004273636
-
-
edited by J. C. Lindon, G. E. Tranter, and J. L. Holmes (Academic, New York)
-
J. Jokisaari, in Encyclopedia of Spectroscopy and Spectrometry, edited by J. C. Lindon, G. E. Tranter, and J. L. Holmes (Academic, New York, 1999).
-
(1999)
Encyclopedia of Spectroscopy and Spectrometry
-
-
Jokisaari, J.1
-
3
-
-
0000813313
-
-
G. Navon, Y.-Q. Song, T. Room, S. Appelt, R. E. Taylor, and A. Pines, Science 271, 1848 (1996).
-
(1996)
Science
, vol.271
, pp. 1848
-
-
Navon, G.1
Song, Y.-Q.2
Room, T.3
Appelt, S.4
Taylor, R.E.5
Pines, A.6
-
5
-
-
0040214688
-
-
J.-L. Bonardet, J. Fraissard, A. Gédéon, and M.-A. Springel-Huet, Catal. Rev. - Sci. Eng. 41, 115 (1999).
-
(1999)
Catal. Rev. - Sci. Eng.
, vol.41
, pp. 115
-
-
Bonardet, J.-L.1
Fraissard, J.2
Gédéon, A.3
Springel-Huet, M.-A.4
-
14
-
-
0000022450
-
-
J.-H. Kantola, J. Vaara, T. T. Rantala, and J. Jokisaari, J. Chem. Phys. 107, 6470 (1997).
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 6470
-
-
Kantola, J.-H.1
Vaara, J.2
Rantala, T.T.3
Jokisaari, J.4
-
18
-
-
0000883826
-
-
J. V. Burda, R. Zahradník, P. Hobza, and M. Urban, Mol. Phys. 89. 425 (1996).
-
(1996)
Mol. Phys.
, vol.89
, pp. 425
-
-
Burda, J.V.1
Zahradník, R.2
Hobza, P.3
Urban, M.4
-
20
-
-
0042206845
-
-
P. Slavíček, R. Kalus, P. Paška, I. Qdvárková P. Hobza, and A. Malijevský, J. Chem. Phys. 119, 2102 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 2102
-
-
Slavíček, P.1
Kalus, R.2
Paška, P.3
Hobza, I.Q.P.4
Malijevský, A.5
-
23
-
-
49049133260
-
-
P. Fuentealba, H. Preuss, H. Stoll, and L. von Szentpály, Chem. Phys. Lett. 89, 418 (1982).
-
(1982)
Chem. Phys. Lett.
, vol.89
, pp. 418
-
-
Fuentealba, P.1
Preuss, H.2
Stoll, H.3
Von Szentpály, L.4
-
24
-
-
0009803110
-
-
A. Nicklass, M. Dolg, H. Stoll, and H. Preuss, J. Chem. Phys. 102, 8942 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 8942
-
-
Nicklass, A.1
Dolg, M.2
Stoll, H.3
Preuss, H.4
-
29
-
-
0042012774
-
-
P. Manninen, P. Lantto, J. Vaara, and K. Ruud, J. Chem. Phys. 119, 2623 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 2623
-
-
Manninen, P.1
Lantto, P.2
Vaara, J.3
Ruud, K.4
-
30
-
-
5444273348
-
-
edited by M. Kaupp, M. Bühl, and V. G. Malkin (Wiley-VCH, Weinheim)
-
J. Vaara, P. Manninen, and P. Lantto, in Calculation of NMR and EPR Parameters: Theory and Applications, edited by M. Kaupp, M. Bühl, and V. G. Malkin (Wiley-VCH, Weinheim, 2004), p. 209.
-
(2004)
Calculation of NMR and EPR Parameters: Theory and Applications
, pp. 209
-
-
Vaara, J.1
Manninen, P.2
Lantto, P.3
-
32
-
-
0000280315
-
-
L. Visscher, T. Enevoldsen, T. Saue, H. J. Aa. Jensen. and J. Oddershede, J. Comput. Chem. 20, 1262 (1999).
-
(1999)
J. Comput. Chem.
, vol.20
, pp. 1262
-
-
Visscher, L.1
Enevoldsen, T.2
Saue, T.3
Jensen, H.J.Aa.4
Oddershede, J.5
-
37
-
-
5444274297
-
-
private communication
-
K. Fægri, Jr. (private communication). See http://folk.uio.no/ knutf/bases/ one
-
-
-
Fægri Jr., K.1
-
38
-
-
0004165142
-
-
edited by P. Diehl, E. Fluck, H. Günther, R. Kosfeld, and J. Seelig (Springer, Berlin)
-
W. Kutzelnigg, U. Fleischer, and M. Schindler, in NMR Basic Principles and Progress, edited by P. Diehl, E. Fluck, H. Günther, R. Kosfeld, and J. Seelig (Springer, Berlin, 1991), Vol. 23.
-
(1991)
NMR Basic Principles and Progress
, vol.23
-
-
Kutzelnigg, W.1
Fleischer, U.2
Schindler, M.3
-
40
-
-
0009149697
-
-
K. Ruud, T. Helgaker, R. Kobayashi, P. Jørgensen, K. L. Bak, and H. J. Aa. Jensen, J. Chem. Phys. 100, 8178 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 8178
-
-
Ruud, K.1
Helgaker, T.2
Kobayashi, R.3
Jørgensen, P.4
Bak, K.L.5
Jensen, H.J.Aa.6
-
41
-
-
0000781102
-
-
P.-O. Åstrand, K. V. Mikkelsen, P. Jorgensen, K. Ruud, and T. Helgaker, J. Chem. Phys. 108, 2528 (1998).
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 2528
-
-
Åstrand, P.-O.1
Mikkelsen, K.V.2
Jorgensen, P.3
Ruud, K.4
Helgaker, T.5
-
42
-
-
5444238793
-
-
Quantum Theory Project, University of Florida. The integral packages included are VMOL (J. Almlöf and P. R. Taylor); VPROPS (P. Taylor); ABACUS (T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, J. Olsen, and P. R. Taylor)
-
J. F. Stanton, J. Gauss, J. D. Watts et al., ACES-II, Advanced Concepts in Electronic Structure II, Release 2.0, Quantum Theory Project, University of Florida. The integral packages included are VMOL (J. Almlöf and P. R. Taylor); VPROPS (P. Taylor); ABACUS (T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, J. Olsen, and P. R. Taylor).
-
ACES-II, Advanced Concepts in Electronic Structure II, Release 2.0
-
-
Stanton, J.F.1
Gauss, J.2
Watts, J.D.3
-
46
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 98, Revision A.7, Gaussian, Inc., Pittsburgh PA, 1998.
-
(1998)
GAUSSIAN 98, Revision A.7
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
47
-
-
0003672483
-
-
R. D. Amos, A. Bernhardsson, A. Berning et al., MOLPRO, a package of ab initio programs, version 2002.1 (2002).
-
(2002)
MOLPRO, A Package of Ab Initio Programs, Version 2002.1
-
-
Amos, R.D.1
Bernhardsson, A.2
Berning, A.3
-
49
-
-
0001643690
-
-
D. Sundholm, VIBROT, Rovibrational Program Package for Diatomic Molecules. See http://www.chem.helsinki.fi/~sundholm/software/GPL; D. Sundholm, J. Gauss, and A. Schäfer, J. Chem. Phys. 105, 11051 (1996).
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 11051
-
-
Sundholm, D.1
Gauss, J.2
Schäfer, A.3
-
50
-
-
5444257770
-
-
note
-
-2 with rms error of about 0.01 ppm.
-
-
-
-
51
-
-
5444265817
-
-
note
-
m =4.529 083 983 Å. The parameters are dimensionless, unless otherwise stated, rms error of the fit is about 0.1 K.
-
-
-
-
52
-
-
0034829854
-
-
I. L. Moudrakovski, S. R. Breeze, B. Simard, C. I. Ratcliffe, J. A. Ripmeester, T. Seideman, J. S. Tse, and G. Santyr, J. Chem. Phys. 114, 2173 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 2173
-
-
Moudrakovski, I.L.1
Breeze, S.R.2
Simard, B.3
Ratcliffe, C.I.4
Ripmeester, J.A.5
Seideman, T.6
Tse, J.S.7
Santyr, G.8
-
53
-
-
0034158630
-
-
A. Halkier, B. Kirchner, H. Huber, and M. Jaszuński, Chem. Phys. 253, 183 (2000).
-
(2000)
Chem. Phys.
, vol.253
, pp. 183
-
-
Halkier, A.1
Kirchner, B.2
Huber, H.3
Jaszuński, M.4
-
54
-
-
0000157363
-
-
B. Kirchner, E. Ermakova, G. Steinebrunner, A. J. Dyson, and H. Huber, Mol. Phys. 94, 257 (1998).
-
(1998)
Mol. Phys.
, vol.94
, pp. 257
-
-
Kirchner, B.1
Ermakova, E.2
Steinebrunner, G.3
Dyson, A.J.4
Huber, H.5
-
55
-
-
0030589856
-
-
A. Barszczewicz, M. Jaszuński, T. Helgaker, and K. Ruud, Chem. Phys. Lett. 250, 1 (1996).
-
(1996)
Chem. Phys. Lett.
, vol.250
, pp. 1
-
-
Barszczewicz, A.1
Jaszuński, M.2
Helgaker, T.3
Ruud, K.4
-
56
-
-
0000563685
-
-
A. K. Dham, W. J. Meath, A. R. Allnatt, R. A. Aziz, and M. J. Slaman, Chem. Phys. 142, 173 (1990).
-
(1990)
Chem. Phys.
, vol.142
, pp. 173
-
-
Dham, A.K.1
Meath, W.J.2
Allnatt, A.R.3
Aziz, R.A.4
Slaman, M.J.5
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