-
2
-
-
0003399742
-
-
edited by W. J. Lyman, W. F. Reehl, and D. H. Rosenblatt (McGraw-Hill, New York)
-
Handbook of Chemical Property Estimation Methods, edited by, W. J. Lyman, W. F. Reehl, and, D. H. Rosenblatt, (McGraw-Hill, New York, 1982).
-
(1982)
Handbook of Chemical Property Estimation Methods
-
-
-
4
-
-
21844457706
-
Microwave and high resolution infrared spectra of vinyl chloride, ab initio anharmonic force field and equilibrium structure
-
DOI 10.1016/j.jms.2005.04.006, PII S002228520500055X
-
J. Demaison, H. Mollendahl, A. Perrin, J. Orphal, F. Kwabia Tschana, H. D. Rudolph, and F. Willaert, J. Mol. Spectrosc. 0022-2852 232, 174 (2005). 10.1016/j.jms.2005.04.006 (Pubitemid 40952706)
-
(2005)
Journal of Molecular Spectroscopy
, vol.232
, Issue.2
, pp. 174-185
-
-
Demaison, J.1
Mollendal, H.2
Perrin, A.3
Orphal, J.4
Tchana, F.K.5
Rudolph, H.D.6
Willaert, F.7
-
5
-
-
33745699308
-
Equilibrium structures for butadiene and ethylene: Compelling evidence for II-electron delocalization in butadiene
-
DOI 10.1021/jp060695b
-
N. C. Craig, P. Groner, and D. C. McKean, J. Phys. Chem. A 1089-5639 110, 7461 (2006). 10.1021/jp060695b (Pubitemid 43999549)
-
(2006)
Journal of Physical Chemistry A
, vol.110
, Issue.23
, pp. 7461-7469
-
-
Craig, N.C.1
Groner, P.2
McKean, D.C.3
-
6
-
-
34047125441
-
Probing the limits of accuracy in electronic structure calculations: Is theory capable of results uniformly better than "chemical accuracy"?
-
DOI 10.1063/1.2464112
-
D. Feller and K. A. Peterson, J. Chem. Phys. 0021-9606 126, 114105 (2007). 10.1063/1.2464112 (Pubitemid 46516339)
-
(2007)
Journal of Chemical Physics
, vol.126
, Issue.11
, pp. 114105
-
-
Feller, D.1
Peterson, K.A.2
-
9
-
-
0041401966
-
-
0021-9606. 10.1063/1.460205
-
L. A. Curtiss, K. Ragavachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 0021-9606 94, 7221 (1991). 10.1063/1.460205
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7221
-
-
Curtiss, L.A.1
Ragavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
10
-
-
35348906888
-
-
0021-9606. 10.1063/1.1676139
-
T. H. Dunning, J. Chem. Phys. 0021-9606 55, 716 (1971). 10.1063/1.1676139
-
(1971)
J. Chem. Phys.
, vol.55
, pp. 716
-
-
Dunning, T.H.1
-
11
-
-
15744375697
-
-
Gaussian, Inc., Wallingford, CT
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, Gaussian 03, Revision C.02, Gaussian, Inc., Wallingford, CT, 2004.
-
(2004)
Gaussian 03, Revision C.02
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
13
-
-
22744453323
-
Second-order Møller-Plesset evaluation of the bond length alternation of several series of linear oligomers
-
DOI 10.1021/jp0509111
-
D. Jacquemin, A. Femenias, H. Chermette, J. -M. Andre, and E. A. Perpete, J. Phys. Chem. A 1089-5639 109, 5734 (2005). 10.1021/jp0509111 (Pubitemid 41027893)
-
(2005)
Journal of Physical Chemistry A
, vol.109
, Issue.25
, pp. 5734-5741
-
-
Jacquemin, D.1
Femenias, A.2
Chermette, H.3
Andre, J.-M.4
Perpete, E.A.5
-
14
-
-
4243841329
-
-
0009-2614. 10.1016/0009-2614(83)80060-8
-
S. Suhai, Chem. Phys. Lett. 0009-2614 96, 619 (1983). 10.1016/0009-2614(83)80060-8
-
(1983)
Chem. Phys. Lett.
, vol.96
, pp. 619
-
-
Suhai, S.1
-
15
-
-
35949022615
-
-
0031-9007. 10.1103/PhysRevLett.51.1191
-
C. S. Yannoni and T. C. Clarke, Phys. Rev. Lett. 0031-9007 51, 1191 (1983). 10.1103/PhysRevLett.51.1191
-
(1983)
Phys. Rev. Lett.
, vol.51
, pp. 1191
-
-
Yannoni, C.S.1
Clarke, T.C.2
-
16
-
-
0023249998
-
X.
-
DOI 10.1016/0379-6779(87)90783-1
-
H. Kahlert, O. Leitner, and G. Leising, Synth. Met. 0379-6779 17, 467 (1987). 10.1016/0379-6779(87)90783-1 (Pubitemid 17649840)
-
(1987)
Synthetic Metals
, vol.17
, pp. 467-472
-
-
Kahlert, H.1
Leitner, O.2
Leising, G.3
-
17
-
-
3743107459
-
-
0021-9606. 10.1063/1.471545
-
J. -Q. Sun and R. J. Bartlett, J. Chem. Phys. 0021-9606 104, 8553 (1996). 10.1063/1.471545
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 8553
-
-
Sun, J.-Q.1
Bartlett, R.J.2
-
18
-
-
0035581275
-
Atomic orbital laplace-transformed second-order møller-plesset theory for periodic systems
-
DOI 10.1063/1.1414369
-
P. Y. Ayala, K. N. Kudin, and G. E. Scuseria, J. Chem. Phys. 0021-9606 115, 9698 (2001). 10.1063/1.1414369 (Pubitemid 33147330)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.21
, pp. 9698-9707
-
-
Ayala, P.Y.1
Konstantin, K.N.2
Kudin, N.3
Scuseria, G.E.4
-
19
-
-
0005144289
-
-
edited by, R. C. Lacher, (Elsevier, Amsterdam)
-
T. G. Schmalz, T. Zivkovic, and D. J. Klein, in MATH/CHEM/COMP 1987, edited by, R. C. Lacher, (Elsevier, Amsterdam, 1988);
-
(1988)
MATH/CHEM/COMP 1987
-
-
Schmalz, T.G.1
Zivkovic, T.2
Klein, D.J.3
-
20
-
-
0040834981
-
-
0021-9606 10.1063/1.460026
-
T. G. Schmalz, J. Chem. Phys. 0021-9606 94, 1191 (1991). 10.1063/1.460026
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 1191
-
-
Schmalz, T.G.1
-
21
-
-
84987112015
-
-
0020-7608 10.1002/qua.560300717
-
D. J. Klein, Int. J. Quantum Chem. 0020-7608 30, 153 (1986) 10.1002/qua.560300717;
-
(1986)
Int. J. Quantum Chem.
, vol.30
, pp. 153
-
-
Klein, D.J.1
-
23
-
-
17644399839
-
Scaling behavior of ground-state energy cluster expansion for linear polyenes
-
DOI 10.1002/qua.20300
-
L. L. Griffin, J. Wu, D. J. Klein, T. G. Schmalz, and L. Bytautas, Int. J. Quantum Chem. 0020-7608 102, 387 (2005). 10.1002/qua.20300 (Pubitemid 40566770)
-
(2005)
International Journal of Quantum Chemistry
, vol.102
, Issue.4
, pp. 387-397
-
-
Griffin, L.L.1
Wu, J.2
Klein, D.J.3
Schmalz, T.G.4
Bytautas, L.5
-
25
-
-
0011560251
-
-
0021-9606
-
H. F. Hameka, J. Chem. Phys. 0021-9606 34, 1996 (1961) 10.1063/1.1731808;
-
(1961)
J. Chem. Phys.
, vol.34
, pp. 1996
-
-
Hameka, H.F.1
-
27
-
-
0010455705
-
-
0002-7863 10.1021/ja00814a007
-
P. S. O'Sullivan and H. F. Hameka, J. Am. Chem. Soc. 0002-7863 92, 25 (1970) 10.1021/ja00704a004;
-
(1974)
J. Am. Chem. Soc.
, vol.96
, pp. 2020
-
-
Haley, L.V.1
Hameka, H.F.2
-
28
-
-
0042633480
-
-
0002-7863 10.1021/ja00448a027
-
L. V. Haley and H. F. Hameka, J. Am. Chem. Soc. 0002-7863 96, 2020 (1974) 10.1021/ja00814a007; A. K. Burnham, J. Lee, T. G. Schmalz, P. Beak, and W. H. Flygare, J. Am. Chem. Soc. 0002-7863 99, 1836 (1977). 10.1021/ja00448a027
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 1836
-
-
Burnham, A.K.1
Lee, J.2
Schmalz, T.G.3
Beak, P.4
Flygare, W.H.5
-
29
-
-
0021093572
-
-
0002-7863. 10.1021/ja00360a004
-
J. L. Bredas, R. Silbey, D. S. Boudreaux, and R. R. Chance, J. Am. Chem. Soc. 0002-7863 105, 6555 (1983). 10.1021/ja00360a004
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 6555
-
-
Bredas, J.L.1
Silbey, R.2
Boudreaux, D.S.3
Chance, R.R.4
-
30
-
-
36448999752
-
-
0021-9606. 10.1063/1.460649
-
H. E. Schaffer, R. R. Chance, R. J. Silbey, K. Knoll, and R. R. Schrock, J. Chem. Phys. 0021-9606 94, 4161 (1991). 10.1063/1.460649
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 4161
-
-
Schaffer, H.E.1
Chance, R.R.2
Silbey, R.J.3
Knoll, K.4
Schrock, R.R.5
-
31
-
-
0026900495
-
-
0379-6779. 10.1016/0379-6779(92)90100-W
-
R. R. Chance, H. Schaffer, K. Knoll, R. Schrock, and R. Silbey, Synth. Met. 0379-6779 49, 271 (1992). 10.1016/0379-6779(92)90100-W
-
(1992)
Synth. Met.
, vol.49
, pp. 271
-
-
Chance, R.R.1
Schaffer, H.2
Knoll, K.3
Schrock, R.4
Silbey, R.5
-
32
-
-
0011572350
-
-
0163-1829. 10.1103/PhysRevB.51.8107
-
C. Heller, G. Leising, C. Godon, S. Lefrant, W. Fischer, and F. Stelzer, Phys. Rev. B 0163-1829 51, 8107 (1995). 10.1103/PhysRevB.51.8107
-
(1995)
Phys. Rev. B
, vol.51
, pp. 8107
-
-
Heller, C.1
Leising, G.2
Godon, C.3
Lefrant, S.4
Fischer, W.5
Stelzer, F.6
|