-
2
-
-
0001428336
-
-
10.1021/jp990970c
-
J. Villà, J. C. Corchado, A. González-Lafont, J. M. Lluch, and D. G. Truhlar, J. Phys. Chem. A 103, 5061 (1999). 10.1021/jp990970c
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 5061
-
-
Villà, J.1
Corchado, J.C.2
González-Lafont, A.3
Lluch, J.M.4
Truhlar, D.G.5
-
9
-
-
0000581921
-
-
10.1063/1.470803
-
T. J. Sears, P. M. Johnson, P. Jin, and S. Oatis, J. Chem. Phys. 104, 781 (1996). 10.1063/1.470803
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 781
-
-
Sears, T.J.1
Johnson, P.M.2
Jin, P.3
Oatis, S.4
-
11
-
-
3943058551
-
-
10.1103/PhysRevLett.75.1566
-
M. Hartmann, R. E. Miller, J. P. Toennies, and A. Vilesov, Phys. Rev. Lett. 75, 1566 (1995). 10.1103/PhysRevLett.75.1566
-
(1995)
Phys. Rev. Lett.
, vol.75
, pp. 1566
-
-
Hartmann, M.1
Miller, R.E.2
Toennies, J.P.3
Vilesov, A.4
-
14
-
-
0000906815
-
-
10.1021/j100538a003
-
J. Pacansky, D. E. Horne, G. P. Gardini, and J. Bargon, J. Phys. Chem. 81, 2149 (1977). 10.1021/j100538a003
-
(1977)
J. Phys. Chem.
, vol.81
, pp. 2149
-
-
Pacansky, J.1
Horne, D.E.2
Gardini, G.P.3
Bargon, J.4
-
19
-
-
0041880160
-
-
10.1063/1.1591731
-
T. López-Ciudad, R. Ramirez, J. Schulte, and M. C. Bohm, J. Chem. Phys. 119, 4328 (2003). 10.1063/1.1591731
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 4328
-
-
López-Ciudad, T.1
Ramirez, R.2
Schulte, J.3
Bohm, M.C.4
-
20
-
-
32044437602
-
-
10.1063/1.2140740
-
T. Häber, A. C. Blair, D. J. Nesbitt, and M. D. Schuder, J. Chem. Phys. 124, 054316 (2006). 10.1063/1.2140740
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 054316
-
-
Häber, T.1
Blair, A.C.2
Nesbitt, D.J.3
Schuder, M.D.4
-
24
-
-
0000848688
-
-
10.1016/0301-0104(91)80074-R
-
H. U. Suter and T.-K. Ha, Chem. Phys. 154, 227 (1991). 10.1016/0301-0104(91)80074-R
-
(1991)
Chem. Phys.
, vol.154
, pp. 227
-
-
Suter, H.U.1
Ha, T.-K.2
-
26
-
-
0000789789
-
-
10.1103/PhysRevLett.76.4560
-
M. Hartmann, F. Mielke, J. P. Toennies, A. F. Vilesov, and G. Benedek, Phys. Rev. Lett. 76, 4560 (1996). 10.1103/PhysRevLett.76.4560
-
(1996)
Phys. Rev. Lett.
, vol.76
, pp. 4560
-
-
Hartmann, M.1
Mielke, F.2
Toennies, J.P.3
Vilesov, A.F.4
Benedek, G.5
-
30
-
-
28844465023
-
-
10.1103/PhysRevLett.95.215301
-
K. von Haeften, A. Metzelthin, S. Rudolph, V. Staemmler, and M. Havenith, Phys. Rev. Lett. 95, 215301 (2005). 10.1103/PhysRevLett.95.215301
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 215301
-
-
Von Haeften, K.1
Metzelthin, A.2
Rudolph, S.3
Staemmler, V.4
Havenith, M.5
-
33
-
-
84861869350
-
-
10.1021/jp3026368
-
A. M. Morrison, J. Agarwal, H. F. Schaefer III, and G. E. Douberly, J. Phys. Chem. A 116, 5299 (2012). 10.1021/jp3026368
-
(2012)
J. Phys. Chem. A
, vol.116
, pp. 5299
-
-
Morrison, A.M.1
Agarwal, J.2
Schaefer III, H.F.3
Douberly, G.E.4
-
34
-
-
21844493696
-
-
10.1016/0301-0104(94)00143-X
-
M. E. Jacox, Chem. Phys. 189, 149 (1994). 10.1016/0301-0104(94)00143-X
-
(1994)
Chem. Phys.
, vol.189
, pp. 149
-
-
Jacox, M.E.1
-
37
-
-
33745041261
-
-
10.1080/01442350600625092
-
M. Y. Choi, G. E. Douberly, T. M. Falconer, W. K. Lewis, C. M. Lindsay, J. M. Merritt, P. L. Stiles, and R. E. Miller, Int. Rev. Phys. Chem. 25, 15 (2006). 10.1080/01442350600625092
-
(2006)
Int. Rev. Phys. Chem.
, vol.25
, pp. 15
-
-
Choi, M.Y.1
Douberly, G.E.2
Falconer, T.M.3
Lewis, W.K.4
Lindsay, C.M.5
Merritt, J.M.6
Stiles, P.L.7
Miller, R.E.8
-
38
-
-
77955618340
-
-
10.1021/jp104545j
-
A. M. Morrison, S. D. Flynn, T. Liang, and G. E. Douberly, J. Phys. Chem. A 114, 8090 (2010). 10.1021/jp104545j
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 8090
-
-
Morrison, A.M.1
Flynn, S.D.2
Liang, T.3
Douberly, G.E.4
-
39
-
-
0006244148
-
-
10.1016/S0009-2614(89)87395-6
-
K. Raghavachari, G. W. Trucks, J. A. Pople, and M. P. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989). 10.1016/S0009-2614(89)87395-6
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.P.4
-
44
-
-
0031578977
-
-
10.1016/S0009-2614(97)01144-5
-
J. F. Stanton, Chem. Phys. Lett. 281, 130 (1997). 10.1016/S0009-2614(97) 01144-5
-
(1997)
Chem. Phys. Lett.
, vol.281
, pp. 130
-
-
Stanton, J.F.1
-
45
-
-
33746614482
-
-
10.1063/1.456153
-
T. H. Dunning, J. Chem. Phys. 90, 1007 (1989). 10.1063/1.456153
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007
-
-
Dunning, T.H.1
-
46
-
-
0002899294
-
-
10.1103/RevModPhys.23.90
-
H. H. Nielsen, Rev. Mod. Phys. 23, 90 (1951). 10.1103/RevModPhys.23.90
-
(1951)
Rev. Mod. Phys.
, vol.23
, pp. 90
-
-
Nielsen, H.H.1
-
47
-
-
0000761742
-
-
10.1016/0301-0104(88)87271-9
-
D. A. Clabo Jr., W. D. Allen, R. B. Remington, Y. Yamaguchi, and H. F. Schaefer III, Chem. Phys. 123, 187 (1988). 10.1016/0301-0104(88)87271-9
-
(1988)
Chem. Phys.
, vol.123
, pp. 187
-
-
Clabo Jr., D.A.1
Allen, W.D.2
Remington, R.B.3
Yamaguchi, Y.4
Schaefer III, H.F.5
-
50
-
-
77249090978
-
-
a quantum-chemical program package by, with Contributions from, and the Integral Packages Molecule, PROPS, ABACUS, and ECP Routines by, see for the current version.
-
CFOUR, Coupled-Cluster Techniques for Computational Chemistry, a quantum-chemical program package by J. F. Stanton, J. Gauss, M. E. Harding, P. G. Szalay with Contributions from A. A. Auer, R. J. Bartlett, U. Benedikt, C. Berger, D. E. Bernholdt, Y. J. Bomble, L. Cheng, O. Christiansen, M. Heckert, O. Heun, C. Huber, T.-C. Jagau, D. Jonsson, J. Jusélius, K. Klein, W. J. Lauderdale, D. A. Matthews, T. Metzroth, D. P. O'neill, D. R. Price, E. Prochnow, K. Ruud, F. Schiffmann, W. Schwalbach, S. Stopkowicz, A. Tajti, J. Vázquez, F. Wang, J. D. Watts and the Integral Packages Molecule, J. Almlöf and P. R. Taylor, PROPS, P. R. Taylor, ABACUS T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and J. Olsen, and ECP Routines by A. V. Mitin and C. Van Wüllen, see http://www.cfour.de for the current version.
-
CFOUR, Coupled-Cluster Techniques for Computational Chemistry
-
-
Stanton, J.F.1
Gauss, J.2
Harding, M.E.3
Szalay, P.G.4
Auer, A.A.5
Bartlett, R.J.6
Benedikt, U.7
Berger, C.8
Bernholdt, D.E.9
Bomble, Y.J.10
Cheng, L.11
Christiansen, O.12
Heckert, M.13
Heun, O.14
Huber, C.15
Jagau, T.-C.16
Jonsson, D.17
Jusélius, J.18
Klein, K.19
Lauderdale, W.J.20
Matthews, D.A.21
Metzroth, T.22
O'Neill, D.P.23
Price, D.R.24
Prochnow, E.25
Ruud, K.26
Schiffmann, F.27
Schwalbach, W.28
Stopkowicz, S.29
Tajti, A.30
Vázquez, J.31
Wang, F.32
Watts, J.D.33
Almlöf, J.34
Taylor, P.R.35
Taylor, P.R.36
Helgaker, T.37
Jensen, H.J.Aa.38
Jørgensen, P.39
Olsen, J.40
Mitin, A.V.41
Van Wüllen, C.42
more..
-
51
-
-
84945617402
-
-
10.1080/00268976300100501
-
H. C. Longuet-Higgins, Mol. Phys. 6, 445 (1963). 10.1080/ 00268976300100501
-
(1963)
Mol. Phys.
, vol.6
, pp. 445
-
-
Longuet-Higgins, H.C.1
-
52
-
-
84878361418
-
-
12 permutation- inversion group treatment for ethyl radical is also provided.
-
-
-
-
54
-
-
0000135519
-
-
10.1063/1.457497
-
B. Ruscic, J. Berkowitz, L. A. Curtiss, and J. A. Pople, J. Chem. Phys. 91, 114 (1989). 10.1063/1.457497
-
(1989)
J. Chem. Phys.
, vol.91
, pp. 114
-
-
Ruscic, B.1
Berkowitz, J.2
Curtiss, L.A.3
Pople, J.A.4
-
56
-
-
12344278746
-
-
10.1021/jp9528875
-
W. L. Hase, H. B. Schlegel, V. Balbyshev, and M. Page, J. Phys. Chem. 100, 5354 (1996). 10.1021/jp9528875
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 5354
-
-
Hase, W.L.1
Schlegel, H.B.2
Balbyshev, V.3
Page, M.4
-
58
-
-
0034600256
-
-
10.1021/ja993760m
-
M. S. Stark, J. Am. Chem. Soc. 122, 4162 (2000). 10.1021/ja993760m
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 4162
-
-
Stark, M.S.1
-
60
-
-
0001647317
-
-
10.1021/ja00090a046
-
G. E. Quelch, M. M. Gallo, M. Shen, Y. Xie, H. F. Schaefer III, and D. Moncrieff, J. Am. Chem. Soc. 116, 4953 (1994). 10.1021/ja00090a046
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 4953
-
-
Quelch, G.E.1
Gallo, M.M.2
Shen, M.3
Xie, Y.4
Schaefer III, H.F.5
Moncrieff, D.6
-
61
-
-
0001537414
-
-
10.1063/1.474610
-
I. S. Ignatyev, Y. Xie, W. D. Allen, and H. F. Schaefer III, J. Chem. Phys. 107, 141 (1997). 10.1063/1.474610
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 141
-
-
Ignatyev, I.S.1
Xie, Y.2
Allen, W.D.3
Schaefer III, H.F.4
-
65
-
-
84878361335
-
-
J. F. Stanton, personal communication (2013).
-
J. F. Stanton, personal communication (2013).
-
-
-
-
66
-
-
31844436100
-
-
10.1080/00268970500290367
-
J. Vazquez and J. F. Stanton, Mol. Phys. 104, 377 (2006). 10.1080/00268970500290367
-
(2006)
Mol. Phys.
, vol.104
, pp. 377
-
-
Vazquez, J.1
Stanton, J.F.2
-
70
-
-
0035830247
-
-
10.1063/1.1418746
-
C. Callegari, K. K. Lehmann, R. Schmied, and G. Scoles, J. Chem. Phys. 115, 10090 (2001). 10.1063/1.1418746
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 10090
-
-
Callegari, C.1
Lehmann, K.K.2
Schmied, R.3
Scoles, G.4
-
71
-
-
0035826035
-
-
10.1063/1.1334620
-
K. K. Lehmann, J. Chem. Phys. 114, 4643 (2001). 10.1063/1.1334620
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 4643
-
-
Lehmann, K.K.1
|