-
5
-
-
0347170005
-
Self-consistent molecular orbital methods, XII. Further extensions of Gaussian-type basis sets for use in molecular orbital studies of organic molecules
-
Hehre, W. J., Ditchfield, R., Pople, J. A., Self-consistent molecular orbital methods, XII. Further extensions of Gaussian-type basis sets for use in molecular orbital studies of organic molecules, J. Chem. Phys., 1972, 56: 2257.
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
6
-
-
24244477327
-
A Hartree-Fock study of the methyl anion and its inversion potential surface: Use of an augmented basis set for this species
-
Duke, A. J., A Hartree-Fock study of the methyl anion and its inversion potential surface: Use of an augmented basis set for this species, Chem. Phys. Lett., 1973, 21: 275.
-
(1973)
Chem. Phys. Lett.
, vol.21
, pp. 275
-
-
Duke, A.J.1
-
7
-
-
0001514067
-
Efficient and accurate calculation of anion proton affinities
-
Chandrasekhar, J., Andrade, J. G., Schleyer, P. v. R., Efficient and accurate calculation of anion proton affinities, J. Am. Chem. Soc., 1981, 103:5609.
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 5609
-
-
Chandrasekhar, J.1
Andrade, J.G.2
Schleyer, P.V.R.3
-
8
-
-
0001422674
-
Ab initio calculations of hydrogen-bonded carboxylic acid cluster systems: Dimer evaporations
-
Zhang, R. Q., Lifshitz, C., Ab initio calculations of hydrogen-bonded carboxylic acid cluster systems: Dimer evaporations, J. Phys. Chem., 1996, 100: 960.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 960
-
-
Zhang, R.Q.1
Lifshitz, C.2
-
9
-
-
0010922186
-
-
Pittsburgh, PA: Gaussian, Inc.
-
Frisch, M. J., Trucks, G. W., Head-Gordon, M. et al., GAUSSIAN 94W (Revision A), Pittsburgh, PA: Gaussian, Inc., 1994.
-
(1994)
GAUSSIAN 94W (Revision A)
-
-
Frisch, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
-
10
-
-
0343560759
-
Accurate ab initio gradient calculation of the structures and conformations of some boric and fluoroboric acids. Basis-set effects on angles around oxygen
-
Boggs, J. E., Cordell, F. R., Accurate ab initio gradient calculation of the structures and conformations of some boric and fluoroboric acids. Basis-set effects on angles around oxygen, J. Mol. Struct. Theochem., 1981, 76: 329.
-
(1981)
J. Mol. Struct. Theochem.
, vol.76
, pp. 329
-
-
Boggs, J.E.1
Cordell, F.R.2
-
11
-
-
0343038509
-
The structure of some nitrogen heteroaromatics
-
Pang, F., Pulay, P., Boggs, J. E., The structure of some nitrogen heteroaromatics, J. Mol. Struct. Theochem., 1982, 88: 79.
-
(1982)
J. Mol. Struct. Theochem.
, vol.88
, pp. 79
-
-
Pang, F.1
Pulay, P.2
Boggs, J.E.3
-
12
-
-
0001049254
-
Structures and energetics of proton-bound formic acid-water clusters
-
Aviyente, V., Zhang, R. Q., Varnali, T. et al., Structures and energetics of proton-bound formic acid-water clusters, Inter. J. Mass Spectrom. Ion Processes, 1997, 161: 123.
-
(1997)
Inter. J. Mass Spectrom. Ion Processes
, vol.161
, pp. 123
-
-
Aviyente, V.1
Zhang, R.Q.2
Varnali, T.3
|