-
2
-
-
0001228258
-
-
M. A. V. Ribeiro da Silva, M. A. R. Matos, V. M. F. Morais, C. M. A. Rio, J. Wang, G. Nichols and J. S. Chickos, J. Phys. Chem., 2000, 104, 1774.
-
(2000)
J. Phys. Chem.
, vol.104
, pp. 1774
-
-
Ribeiro Da Silva, M.A.V.1
Matos, M.A.R.2
Morais, V.M.F.3
Rio, C.M.A.4
Wang, J.5
Nichols, G.6
Chickos, J.S.7
-
3
-
-
0040852111
-
-
M. A. V. Ribeiro da Silva, M. A. R. Matos, V. M. F. Morais, C. M. A. Rio and C. M. G. S. Piedale, Struct. Chem., 1996, 7, 329.
-
(1996)
Struct. Chem.
, vol.7
, pp. 329
-
-
Ribeiro Da Silva, M.A.V.1
Matos, M.A.R.2
Morais, V.M.F.3
Rio, C.M.A.4
Piedale, C.M.G.S.5
-
4
-
-
0004234612
-
-
ed. F. D. Rossini, Interscience, New York; Chap. 5
-
W. N. Hubbard, D. W. Scott, G. Waddington, in Experimental Thermochemistry: Standard States and Corrections for Combustions in a Bomb at Constant Volume, ed. F. D. Rossini, Interscience, New York, 1956, Vol. 1, Chap. 5.
-
(1956)
Experimental Thermochemistry: Standard States and Corrections for Combustions in a Bomb at Constant Volume
, vol.1
-
-
Hubbard, W.N.1
Scott, D.W.2
Waddington, G.3
-
5
-
-
0004234612
-
-
ed. F. D. Rossini, Interscience, New York; Chap. 3
-
J. Coops, R. S. Jessup, K. Van Nes, in Experimental Thermochemistry: Calibration of Calorimeters for Reactions in a Bomb at Constant Volume, ed. F. D. Rossini, Interscience, New York, 1956, Vol. 1, Chap. 3.
-
(1956)
Experimental Thermochemistry: Calibration of Calorimeters for Reactions in a Bomb at Constant Volume
, vol.1
-
-
Coops, J.1
Jessup, R.S.2
Van Nes, K.3
-
6
-
-
0346872835
-
-
The NBS Tables of Chemical Thermodynamic Properties
-
The NBS Tables of Chemical Thermodynamic Properties, J. Phys. Chem. Ref. Data, 1982, 11, Suppl. 2.
-
(1982)
J. Phys. Chem. Ref. Data
, vol.11
, Issue.SUPPL. 2
-
-
-
7
-
-
0002754020
-
-
ed. F. D. Rossini, Interscience, New York; Chap. 14
-
F. D. Rossini, in Experimental Thermochemistry: Assignment of Uncertainties to Thermochemical Data, ed. F. D. Rossini, Interscience, New York, 1956, Vol. 1, Chap. 14, p. 297.
-
(1956)
Experimental Thermochemistry: Assignment of Uncertainties to Thermochemical Data
, vol.1
, pp. 297
-
-
Rossini, F.D.1
-
8
-
-
33745021264
-
-
CODATA
-
CODATA, J. Chem. Thermodyn., 1978, 10, 903.
-
(1978)
J. Chem. Thermodyn.
, vol.10
, pp. 903
-
-
-
9
-
-
4544285042
-
Neutral thermochemical data
-
eds. P J. Linstrom and W. G. Mallard, July 2001, National Institute of Standards and Technology, Gaithersburg MD, 20899
-
H. Y. Afeefy, J. F. Liebman, S. E. Stein, "Neutral Thermochemical Data", in NIST Chemistry WebBook, NIST Standard Reference Database Number 69, eds. P J. Linstrom and W. G. Mallard, July 2001, National Institute of Standards and Technology, Gaithersburg MD, 20899 (http://webbook.nist.gov).
-
NIST Chemistry WebBook, NIST Standard Reference Database Number 69
-
-
Afeefy, H.Y.1
Liebman, J.F.2
Stein, S.E.3
-
10
-
-
0003427206
-
-
TRC Data Series, College Station, Texas
-
J. B. Pedley, in Thermochemical Data of Organic Compounds, TRC Data Series, College Station, Texas, 1994, Vol. I.
-
(1994)
Thermochemical Data of Organic Compounds
, vol.1
-
-
Pedley, J.B.1
-
12
-
-
0346242520
-
-
P. J. Breen, E. R. Bernstein and J. I. Seeman, J. Chem. Phys., 1987, 87, 3629.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 3629
-
-
Breen, P.J.1
Bernstein, E.R.2
Seeman, J.I.3
-
13
-
-
33947089034
-
-
W. J. Hehre, L. Radom and J. A. Pople, J. Am. Chem. Soc., 1972, 94, 1496.
-
(1972)
J. Am. Chem. Soc.
, vol.94
, pp. 1496
-
-
Hehre, W.J.1
Radom, L.2
Pople, J.A.3
-
14
-
-
0003998388
-
-
ed. R. C. Weast, CRC Press Inc., Cleveland, Ohio
-
Handbook of Chemistry and Physics, 70th edition, ed. R. C. Weast, CRC Press Inc., Cleveland, Ohio, 1989-1990.
-
(1989)
Handbook of Chemistry and Physics, 70th Edition
-
-
-
15
-
-
0000011184
-
-
M. A. V. Ribeiro da Silva, M. D. M. C. Ribeiro da Silva and G. Pilcher, Rev. Port. Quím., 1984, 26, 163.
-
(1984)
Rev. Port. Quím.
, vol.26
, pp. 163
-
-
Ribeiro Da Silva, M.A.V.1
Ribeiro Da Silva, M.D.M.C.2
Pilcher, G.3
-
16
-
-
0001399817
-
-
M. A. V. Ribeiro da Silva, M. D. M. C. Ribeiro da Silva and G. Pilcher, J. Chem. Thermodyn., 1984, 16, 1149.
-
(1984)
J. Chem. Thermodyn.
, vol.16
, pp. 1149
-
-
Ribeiro Da Silva, M.A.V.1
Ribeiro Da Silva, M.D.M.C.2
Pilcher, G.3
-
18
-
-
0001151479
-
-
F. A. Adedeji, D. L. S. Brown, J. A. Connor, M. L. Leung, I. M. Paz-Andrade and H. A. Skinner, J. Organomet. Chem., 1975, 97, 221.
-
(1975)
J. Organomet. Chem.
, vol.97
, pp. 221
-
-
Adedeji, F.A.1
Brown, D.L.S.2
Connor, J.A.3
Leung, M.L.4
Paz-Andrade, I.M.5
Skinner, H.A.6
-
19
-
-
0001333123
-
-
M. A. V. Ribeiro da Silva, M. A. R. Matos and L. M. P. F. Amaral, J. Chem. Thermodyn., 1995, 27, 565.
-
(1995)
J. Chem. Thermodyn.
, vol.27
, pp. 565
-
-
Ribeiro Da Silva, M.A.V.1
Matos, M.A.R.2
Amaral, L.M.P.F.3
-
20
-
-
0003693024
-
-
Wiley, New York
-
D. R. Stull, E. F. Westrum, G. C. Sinke, in The Chemical Thermodynamics of Organic Compounds, Wiley, New York, 1969.
-
(1969)
The Chemical Thermodynamics of Organic Compounds
-
-
Stull, D.R.1
Westrum, E.F.2
Sinke, G.C.3
-
22
-
-
0345491105
-
-
C. T. Lee, W. T. Yang and R. G. Parr, Phys. Rev. B, 1998, 37, 785.
-
(1998)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
24
-
-
0000649832
-
-
R. Krishnan, M. J. Frisch and J. A. Pople, J. Chem. Phys., 1980, 74, 4244.
-
(1980)
J. Chem. Phys.
, vol.74
, pp. 4244
-
-
Krishnan, R.1
Frisch, M.J.2
Pople, J.A.3
-
26
-
-
0346242521
-
-
note; Program No. QG01 (GAMESS)
-
GAMESS0-UK is a package of ab initio programs written by M. F. Guest J. H. van Lenthe, J. Kendrick, K. Schoffel, and P. Sherwood, with contributions from R. D. Amos, R. J. Buenker, H. J. J. van Dam, M. Dupuis, N. C. Handy, I H. Hillier, P. J. Knowles, V. Bonacic-Koutecky, W. von Niessen, R. J. Harrison, A. P. Rendell, V. R. Saunders, A. J. Stone and A. H. de Vries. The package is derived from the original GAMESS code due to M. Dupuis, D. Spangler and J. Wendoloski, NRCC Software Catalog, Vol. 1, Program No. QG01 (GAMESS), 1980.
-
(1980)
NRCC Software Catalog
, vol.1
-
-
-
27
-
-
0347503371
-
-
note
-
The DFT module within GAMESS-UK was developed by Dr P. Young under the auspices of EPSRC's Collaborative Computational Project No. 1 (CCP1) (1995-1997).
-
(1995)
-
-
|