-
1
-
-
0037155387
-
Theoretical investigation of iron carbide, FeC
-
DOI 10.1063/1.1450548
-
D. Tzeli and A. Mavridis, J. Chem. Phys. JCPSA6 0021-9606 116, 4901 (2002). 10.1063/1.1450548 (Pubitemid 34923852)
-
(2002)
Journal of Chemical Physics
, vol.116
, Issue.12
, pp. 4901-4921
-
-
Tzeli, D.1
Mavridis, A.2
-
2
-
-
0037444588
-
-
JCPSA6 0021-9606, () 10.1063/1.1545680;, J. Chem. Phys. JCPSA6 0021-9606 122, 056101 (2005). 10.1063/1.1834564
-
D. Tzeli and A. Mavridis, J. Chem. Phys. JCPSA6 0021-9606 118, 4984 (2003) 10.1063/1.1545680; D. Tzeli and A. Mavridis, J. Chem. Phys. JCPSA6 0021-9606 122, 056101 (2005). 10.1063/1.1834564
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 4984
-
-
Tzeli, D.1
Mavridis, A.2
Tzeli, D.3
Mavridis, A.4
-
4
-
-
73949108696
-
-
JPCAFH 1089-5639,. 10.1021/jp903218h
-
K. -C. Lau, Y. -C. Chang, C. -S. Lam, and C. Y. Ng, J. Phys. Chem. A JPCAFH 1089-5639 113, 14321 (2009). 10.1021/jp903218h
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 14321
-
-
Lau, K.-C.1
Chang, Y.-C.2
Lam, C.-S.3
Ng, C.Y.4
-
5
-
-
0001567192
-
-
JCPSA6 0021-9606, () 10.1063/1.469590;, Astrophys. J. Lett. AJLEAU 0004-637X 472, L57 (1996). 10.1086/310354
-
W. I. Balfour, J. Cao, C. V. V. Prasad, and C. X. W. Qian, J. Chem. Phys. JCPSA6 0021-9606 103, 4046 (1995) 10.1063/1.469590; M. D. Allen, J. C. Pesch, and L. M. Ziurys, Astrophys. J. Lett. AJLEAU 0004-637X 472, L57 (1996). 10.1086/310354
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 4046
-
-
Balfour, W.I.1
Cao, J.2
Prasad, C.V.V.3
Qian, C.X.W.4
Allen, M.D.5
Pesch, J.C.6
Ziurys, L.M.7
-
6
-
-
0000557762
-
-
CHPLBC 0009-2614,. 10.1016/S0009-2614(99)00690-9
-
K. Aiuchi, K. Tsuji, and K. Shibuya, Chem. Phys. Lett. CHPLBC 0009-2614 309, 229 (1999). 10.1016/S0009-2614(99)00690-9
-
(1999)
Chem. Phys. Lett.
, vol.309
, pp. 229
-
-
Aiuchi, K.1
Tsuji, K.2
Shibuya, K.3
-
7
-
-
0037158067
-
The permanent electric dipole moments of iron monocarbide, FeC
-
DOI 10.1063/1.1487370
-
T. C. Steimle, W. L. Virgo, and D. A. Hostutler, J. Chem. Phys. JCPSA6 0021-9606 117, 1511 (2002). 10.1063/1.1487370 (Pubitemid 34923900)
-
(2002)
Journal of Chemical Physics
, vol.117
, Issue.4
, pp. 1511-1516
-
-
Steimle, T.C.1
Virgo, W.L.2
Hostutler, D.A.3
-
8
-
-
0035526879
-
-
JMOSA3 0022-2852,. 10.1006/jms2001.8399
-
M. Fujitake, A. Toba, M. Mori, F. Miyazawa, N. Ohashi, K. Aiuchi, and K. Shibuya, J. Mol. Spectrosc. JMOSA3 0022-2852 208, 253 (2001). 10.1006/jmsp.2001.8399
-
(2001)
J. Mol. Spectrosc.
, vol.208
, pp. 253
-
-
Fujitake, M.1
Toba, A.2
Mori, M.3
Miyazawa, F.4
Ohashi, N.5
Aiuchi, K.6
Shibuya, K.7
-
9
-
-
65649147158
-
-
JPCAFH 1089-5639,. 10.1021/jp810797v
-
Y. -C. Chang, C. -S. Lam, B. Reed, K. -C. Lau, H. -T. Lion, and C. Y. Ng, J. Phys. Chem. A JPCAFH 1089-5639 113, 4242 (2009). 10.1021/jp810797v
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 4242
-
-
Chang, Y.-C.1
Lam, C.-S.2
Reed, B.3
Lau, K.-C.4
Lion, H.-T.5
Ng, C.Y.6
-
10
-
-
22944442351
-
-
JACSAT 0002-7863,. 10.1021/ja00270a008
-
R. L. Hettich and B. S. Freiser, J. Am. Chem. Soc. JACSAT 0002-7863 108, 2537 (1986). 10.1021/ja00270a008
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 2537
-
-
Hettich, R.L.1
Freiser, B.S.2
-
11
-
-
0031250859
-
-
JPCAFH 1089-5639,. 10.1021/jp971534y
-
C. Angeli, G. Berthier, C. Rolando, M. Sablier, C. Alcaraz, and O. Dutuit, J. Phys. Chem. A JPCAFH 1089-5639 101, 7907 (1997). 10.1021/jp971534y
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 7907
-
-
Angeli, C.1
Berthier, G.2
Rolando, C.3
Sablier, M.4
Alcaraz, C.5
Dutuit, O.6
-
12
-
-
0000493917
-
-
JCPSA6 0021-9606,. 10.1063/1.475275
-
D. J. Brugh and M. D. Morse, J. Chem. Phys. JCPSA6 0021-9606 107, 9772 (1997). 10.1063/1.475275
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 9772
-
-
Brugh, D.J.1
Morse, M.D.2
-
13
-
-
0020733851
-
-
JOBPDE 0740-3224,. 10.1364/JOSAB.1.000314
-
E. F. Worden, B. Comaskey, J. Densberger, J. Christensen, J. M. McAfee, and J. A. Paisner, J. Opt. Soc. Am. B JOBPDE 0740-3224 1, 314 (1984). 10.1364/JOSAB.1.000314
-
(1984)
J. Opt. Soc. Am. B
, vol.1
, pp. 314
-
-
Worden, E.F.1
Comaskey, B.2
Densberger, J.3
Christensen, J.4
McAfee, J.M.5
Paisner, J.A.6
-
14
-
-
0042737854
-
-
TCACFW 1432-881X, () 10.1007/s00214-003-0428-4;, Chem. Phys. CMPHC2 0301-0104 364, 1 (2009). 10.1016/j.chemphys.2009.07.012
-
G. L. Gutsev, L. Andrews, and C. W. Bauschlicher, Jr., Theor. Chem. Acc. TCACFW 1432-881X 109, 298 (2003) 10.1007/s00214-003-0428-4; P. Redondo, L. Largo, and C. Barrientos, Chem. Phys. CMPHC2 0301-0104 364, 1 (2009). 10.1016/j.chemphys.2009.07.012
-
(2003)
Theor. Chem. Acc.
, vol.109
, pp. 298
-
-
Gutsev, G.L.1
Andrews, L.2
Bauschlicher Jr., C.W.3
Redondo, P.4
Largo, L.5
Barrientos, C.6
-
15
-
-
24144464461
-
Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc-Zn
-
DOI 10.1063/1.1998907, 064107
-
N. B. Balabanov and K. A. Peterson, J. Chem. Phys. JCPSA6 0021-9606 123, 064107 (2005). 10.1063/1.1998907 (Pubitemid 41235438)
-
(2005)
Journal of Chemical Physics
, vol.123
, Issue.6
, pp. 1-15
-
-
Balabanov, N.B.1
Peterson, K.A.2
-
16
-
-
33746614482
-
-
JCPSA6 0021-9606, () 10.1063/1.456153;, J. Chem. Phys. JCPSA6 0021-9606 103, 4572 (1995). 10.1063/1.470645
-
T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 90, 1007 (1989) 10.1063/1.456153; D. Woon and T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 103, 4572 (1995). 10.1063/1.470645
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007
-
-
Dunning Jr., T.H.1
Woon, D.2
Dunning Jr., T.H.3
-
17
-
-
36148931496
-
-
ANPYA2 0003-3804,. 10.1016/0003-4916(74)90333-9
-
M. Douglas and N. M. Kroll, Ann. Phys. ANPYA2 0003-3804 82, 89 (1974). 10.1016/0003-4916(74)90333-9
-
(1974)
Ann. Phys.
, vol.82
, pp. 89
-
-
Douglas, M.1
Kroll, N.M.2
-
18
-
-
0001246904
-
-
PLRAAN 1050-2947, () 10.1103/PhysRevA.32.756;, Phys. Rev. A PLRAAN 1050-2947 33, 3742 (1986) 10.1103/PhysRevA.33.3742;, Phys. Rev. A PLRAAN 1050-2947 39, 6016 (1989). 10.1103/PhysRevA.39.6016
-
B. A. Hess, Phys. Rev. A PLRAAN 1050-2947 32, 756 (1985) 10.1103/PhysRevA.32.756; B. A. Hess, Phys. Rev. A PLRAAN 1050-2947 33, 3742 (1986) 10.1103/PhysRevA.33.3742; G. Jansen and B. A. Hess, Phys. Rev. A PLRAAN 1050-2947 39, 6016 (1989). 10.1103/PhysRevA.39.6016
-
(1985)
Phys. Rev. A
, vol.32
, pp. 756
-
-
Hess, B.A.1
Hess, B.A.2
Jansen, G.3
Hess, B.A.4
-
19
-
-
84987142859
-
-
IJQCB2 0020-7608, () 10.1002/qua.560080106;, Chem. Phys. Lett. CHPLBC 0009-2614 52, 403 (1977). 10.1016/0009-2614(77)80475-2
-
S. R. Langhoff and E. R. Davidson, Int. J. Quantum Chem. IJQCB2 0020-7608 8, 61 (1974) 10.1002/qua.560080106; E. R. Davidson and D. W. Silver, Chem. Phys. Lett. CHPLBC 0009-2614 52, 403 (1977). 10.1016/0009-2614(77)80475-2
-
(1974)
Int. J. Quantum Chem.
, vol.8
, pp. 61
-
-
Langhoff, S.R.1
Davidson, E.R.2
Davidson, E.R.3
Silver, D.W.4
-
20
-
-
0344628184
-
-
CHPLBC 0009-2614, () 10.1016/0009-2614(88)87388-3;, Theor. Chim. Acta TCHAAM 0040-5744 78, 175 (1990). 10.1007/BF01112867
-
R. J. Gdanitz and R. Ahlrichs, Chem. Phys. Lett. CHPLBC 0009-2614 143, 413 (1988) 10.1016/0009-2614(88)87388-3; H. J. Werner and P. J. Knowles, Theor. Chim. Acta TCHAAM 0040-5744 78, 175 (1990). 10.1007/BF01112867
-
(1988)
Chem. Phys. Lett.
, vol.143
, pp. 413
-
-
Gdanitz, R.J.1
Ahlrichs, R.2
Werner, H.J.3
Knowles, P.J.4
-
21
-
-
77952967741
-
-
MOLPRO, version 2006.1, a package of ab initio programs written by.
-
MOLPRO, version 2006.1, a package of ab initio programs written by H. -J. Werner, P. J. Knowles R. Lindh.
-
-
-
Werner, H.-J.1
Knowles, P.J.2
Lindh, R.3
-
22
-
-
0001585259
-
-
PLRAAN 1050-2947,. 10.1103/PhysRevA.58.2844
-
M. Scheer, R. C. Bilodeau, C. A. Brodie, and H. K. Haugen, Phys. Rev. A PLRAAN 1050-2947 58, 2844 (1998). 10.1103/PhysRevA.58.2844
-
(1998)
Phys. Rev. A
, vol.58
, pp. 2844
-
-
Scheer, M.1
Bilodeau, R.C.2
Brodie, C.A.3
Haugen, H.K.4
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