-
4
-
-
0003574517
-
-
Ellis Horwood Series in Inorganic Chemistry (E. Horwood, Chichester)
-
R. V. Parish, NMR, NQR, EPR, and Mössbauer Spectroscopy in Inorganic Chemistry, Ellis Horwood Series in Inorganic Chemistry (E. Horwood, Chichester, 1990).
-
(1990)
NMR, NQR, EPR, and Mössbauer Spectroscopy in Inorganic Chemistry
-
-
Parish, R.V.1
-
6
-
-
1842576444
-
-
edited by B. C. Gilbert, M. J. Davies, and D. M. Murphy (The Royal Society of Chemistry, Cambridge), Vol
-
F. Neese, Electron Paramagnetic Resonance, edited by, B. C. Gilbert, M. J. Davies, and, D. M. Murphy, (The Royal Society of Chemistry, Cambridge, 2007), Vol. 20, pp. 73-95.
-
(2007)
Electron Paramagnetic Resonance
, vol.20
, pp. 73-95
-
-
Neese, F.1
-
9
-
-
20844452286
-
-
10.1063/1.1904589
-
F. Neese, A. Wolf, T. Fleig, M. Reiher, and B. A. Hess, J. Chem. Phys. 122, 204107 (2005). 10.1063/1.1904589
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 204107
-
-
Neese, F.1
Wolf, A.2
Fleig, T.3
Reiher, M.4
Hess, B.A.5
-
10
-
-
34548128304
-
-
10.1063/1.2761880
-
R. Mastalerz, G. Barone, R. Lindh, and M. Reiher, J. Chem. Phys. 127, 074105 (2007). 10.1063/1.2761880
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 074105
-
-
Mastalerz, R.1
Barone, G.2
Lindh, R.3
Reiher, M.4
-
13
-
-
33847082496
-
-
10.1063/1.2436881
-
L. Belpassi, F. Tarantelli, A. Sgamellotti, H. M. Quiney, J. N. P. van Stralen, and L. Visscher, J. Chem. Phys. 126, 064314 (2007). 10.1063/1.2436881
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 064314
-
-
Belpassi, L.1
Tarantelli, F.2
Sgamellotti, A.3
Quiney, H.M.4
Van Stralen, J.N.P.5
Visscher, L.6
-
14
-
-
84856907388
-
-
10.1039/c2cp23080a
-
V. Arcisauskaite, S. Knecht, S. P. A. Sauer, and L. Hemmingsen, Phys. Chem. Chem. Phys. 14, 2651 (2012). 10.1039/c2cp23080a
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 2651
-
-
Arcisauskaite, V.1
Knecht, S.2
Sauer, S.P.A.3
Hemmingsen, L.4
-
19
-
-
0000098371
-
-
10.1063/1.473860
-
K. G. Dyall, J. Chem. Phys. 106, 9618 (1997). 10.1063/1.473860
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 9618
-
-
Dyall, K.G.1
-
21
-
-
84865098777
-
Development, Implementation, and Application of an Analytic Second Derivative Formalism for the Normalized Elimination of the Small Component Method
-
(in press)
-
W. Zou, M. Filatov, and D. Cremer, Development, Implementation, and Application of an Analytic Second Derivative Formalism for the Normalized Elimination of the Small Component Method., J. Chem. Theory Comput. (in press).
-
J. Chem. Theory Comput.
-
-
Zou, W.1
Filatov, M.2
Cremer, D.3
-
25
-
-
34547564932
-
-
10.1103/PhysRev.56.340
-
R. P. Feynman, Phys. Rev. 56, 340 (1939). 10.1103/PhysRev.56.340
-
(1939)
Phys. Rev.
, vol.56
, pp. 340
-
-
Feynman, R.P.1
-
26
-
-
0036605711
-
-
10.1002/jcc.10048
-
K. G. Dyall, J. Comp. Chem. 23, 786 (2002). 10.1002/jcc.10048
-
(2002)
J. Comp. Chem.
, vol.23
, pp. 786
-
-
Dyall, K.G.1
-
30
-
-
0001632642
-
-
10.1098/rspa.1935.0211
-
B. Swirles, Proc. R. Soc. London A 152, 625 (1935). 10.1098/rspa.1935. 0211
-
(1935)
Proc. R. Soc. London A
, vol.152
, pp. 625
-
-
Swirles, B.1
-
31
-
-
33847664736
-
-
10.1088/0022-3700/13/17/009
-
P. Hafner, J. Phys. B 13, 3297 (1980). 10.1088/0022-3700/13/17/009
-
(1980)
J. Phys. B
, vol.13
, pp. 3297
-
-
Hafner, P.1
-
34
-
-
84858324357
-
-
(Southern Methodist University, Dallas, TX)
-
E. Kraka, M. Filatov, J. Gräfenstein, W. Zou, H. Joo, D. Izotov, J. Gauss, Y. He, A. Wu, V. Polo, L. Olsson, Z. Konkoli, Z. He, and D. Cremer, COLOGNE2011 (Southern Methodist University, Dallas, TX, 2011).
-
(2011)
COLOGNE2011
-
-
Kraka, E.1
Filatov, M.2
Gräfenstein, J.3
Zou, W.4
Joo, H.5
Izotov, D.6
Gauss, J.7
He, Y.8
Wu, A.9
Polo, V.10
Olsson, L.11
Konkoli, Z.12
He, Z.13
Cremer, D.14
-
36
-
-
33746050369
-
-
10.1103/PhysRevLett.97.030802
-
G. Gabrielse, D. Hanneke, T. Kinoshita, M. Nio, and B. Odom, Phys. Rev. Lett. 97, 030802 (2006). 10.1103/PhysRevLett.97.030802
-
(2006)
Phys. Rev. Lett.
, vol.97
, pp. 030802
-
-
Gabrielse, G.1
Hanneke, D.2
Kinoshita, T.3
Nio, M.4
Odom, B.5
-
37
-
-
80052396803
-
-
10.1063/1.3624397
-
L. Cheng and J. Gauss, J. Chem. Phys. 135, 084114 (2011). 10.1063/1.3624397
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 084114
-
-
Cheng, L.1
Gauss, J.2
-
38
-
-
2342586703
-
-
10.1063/1.1687676
-
C. van Wüllen, J. Chem. Phys. 120, 7307 (2004). 10.1063/1.1687676
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 7307
-
-
Van Wüllen, C.1
-
41
-
-
0037414521
-
-
10.1021/jo020668r
-
T. Tsuchiya, T. Shimizu, K. Hirabayashi, and N. Kamaigata, J. Org. Chem. 68, 3480 (2003). 10.1021/jo020668r
-
(2003)
J. Org. Chem.
, vol.68
, pp. 3480
-
-
Tsuchiya, T.1
Shimizu, T.2
Hirabayashi, K.3
Kamaigata, N.4
-
43
-
-
56749129924
-
-
10.1021/ct800047t
-
D. A. Pantazis, X.-Y. Chen, C. R. Landis, and F. Neese, J. Chem. Theory Comput. 4, 908 (2008). 10.1021/ct800047t
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 908
-
-
Pantazis, D.A.1
Chen, X.-Y.2
Landis, C.R.3
Neese, F.4
-
44
-
-
26844534384
-
-
10.1063/1.438955
-
R. Krishnan, J. S. Binkley, and J. A. Seeger, and R. Pople, J. Chem. Phys. 72, 650 (1980). 10.1063/1.438955
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, J.A.3
Pople, R.4
-
47
-
-
79955934512
-
-
10.1007/s00214-011-0911-2
-
S. Knecht, S. Fux, R. Van Meer, L. Visscher, M. Reiher, and T. Saue, Theor. Chem. Acc. 129, 631 (2011). 10.1007/s00214-011-0911-2
-
(2011)
Theor. Chem. Acc.
, vol.129
, pp. 631
-
-
Knecht, S.1
Fux, S.2
Van Meer, R.3
Visscher, L.4
Reiher, M.5
Saue, T.6
-
48
-
-
0000255716
-
-
10.1107/S0567740871002905
-
F. L. Hirshfeld, Acta Cryst. B27, 769 (1971). 10.1107/S0567740871002905
-
(1971)
Acta Cryst.
, vol.27
, pp. 769
-
-
Hirshfeld, F.L.1
-
51
-
-
36549075588
-
-
10.1002/chem.200701208
-
O. Iranzo, P. W. Thulstrup, S.-b. Ryu, L. Hemmingsen, and V. L. Pecoraro, Chem.-Eur. J. 13, 9178 (2007). 10.1002/chem.200701208
-
(2007)
Chem.-Eur. J.
, vol.13
, pp. 9178
-
-
Iranzo, O.1
Thulstrup, P.W.2
Ryu, S.B.3
Hemmingsen, L.4
Pecoraro, V.L.5
-
52
-
-
36849130695
-
-
10.1063/1.1732430
-
A. D. Buckingham, J. Chem. Phys. 36, 3096 (1962). 10.1063/1.1732430
-
(1962)
J. Chem. Phys.
, vol.36
, pp. 3096
-
-
Buckingham, A.D.1
|