-
1
-
-
84941837189
-
Towards a unified view of the description of internal and external fields acting on chemical functional groups
-
Alagona, G.; Bonaccorsi, R.; Ghio, C.; Montagnani, R.: 1998, 'Towards a unified view of the description of internal and external fields acting on chemical functional groups', Pure and Applied Chemistry, 60, 231-244.
-
(1998)
Pure and Applied Chemistry
, vol.60
, pp. 231-244
-
-
Alagona, G.1
Bonaccorsi, R.2
Ghio, C.3
Montagnani, R.4
-
4
-
-
0004003868
-
-
English edn., Vintage Books, New York
-
(English edn.: Historian's Craft, Vintage Books, New York 1964).
-
(1964)
Historian's Craft
-
-
-
5
-
-
84870883338
-
The development of computational chemistry in the United States
-
K.B. Lipkowitz, D.B. Boyd (eds.), VCH Publishers, New York
-
Bolcer, J.D.; Hermann R.B.: 1994, 'The Development of Computational Chemistry in the United States', in: K.B. Lipkowitz, D.B. Boyd (eds.), Reviews in Computational Chemistry, vol. 5, VCH Publishers, New York, pp. 1-63.
-
(1994)
Reviews in Computational Chemistry
, vol.5
, pp. 1-63
-
-
Bolcer, J.D.1
Hermann, R.B.2
-
6
-
-
0347690492
-
The effect of intramolecular interactions on the transferability properties of localized descriptions of chemical groups
-
Bonaccorsi, R.; Ghio, C.; Scrocco, E.; Tomasi, J.: 1980, 'The effect of intramolecular interactions on the transferability properties of localized descriptions of chemical groups', Israel Journal of Chemistry, 19, 109-126.
-
(1980)
Israel Journal of Chemistry
, vol.19
, pp. 109-126
-
-
Bonaccorsi, R.1
Ghio, C.2
Scrocco, E.3
Tomasi, J.4
-
7
-
-
36149005549
-
Construction of some molecular orbitals to be approximately invariant for changes from one molecule to another
-
Boys, S.F.: 1960, 'Construction of Some Molecular Orbitals to Be Approximately Invariant for Changes from One Molecule to Another', Reviews in Modern Physics, 32, 296-299.
-
(1960)
Reviews in Modern Physics
, vol.32
, pp. 296-299
-
-
Boys, S.F.1
-
9
-
-
36149010672
-
Present state of molecular structure calculations
-
Coulson, C.A.: 1960, 'Present State of Molecular Structure Calculations', Reviews in Modern Physics, 32, 169-177.
-
(1960)
Reviews in Modern Physics
, vol.32
, pp. 169-177
-
-
Coulson, C.A.1
-
12
-
-
0004251709
-
-
Wiley, New York
-
Eyring, M.; Walter, J.; Kimball, G.E.: 1944, Quantum Chemistry, Wiley, New York.
-
(1944)
Quantum Chemistry
-
-
Eyring, M.1
Walter, J.2
Kimball, G.E.3
-
13
-
-
53149133231
-
Modelling - A search for simplicity
-
Z.B. Maksic (ed.), Springer-Verlag, Berlin
-
Maksic, Z.B.: 1991, 'Modelling - A search for simplicity', in: Z.B. Maksic (ed.), Theoretical Models of Chemical Bonding. Part 1: Atomic Hypothesis and the Concept of Molecular Structure, Springer-Verlag, Berlin, pp. XIII-XIX.
-
(1991)
Theoretical Models of Chemical Bonding. Part 1: Atomic Hypothesis and the Concept of Molecular Structure
-
-
Maksic, Z.B.1
-
18
-
-
0000986790
-
Models and modeling in theoretical chemistry
-
Tomasi, J.: 1988, 'Models and modeling in theoretical chemistry', Journal of Molecular Structure (Theochem), 179, 273-292.
-
(1988)
Journal of Molecular Structure (Theochem)
, vol.179
, pp. 273-292
-
-
Tomasi, J.1
-
19
-
-
0346475503
-
Quantum chemistry: The new frontiers
-
Y. Ellinger, M. Defranceschi (eds.), Kluwer, Dordrecht
-
Tomasi, J.: 1996a, 'Quantum Chemistry: the New Frontiers', in: Y. Ellinger, M. Defranceschi (eds.), Strategies and Applications in Quantum Chemistry, Kluwer, Dordrecht, pp.1-17.
-
(1996)
Strategies and Applications in Quantum Chemistry
, pp. 1-17
-
-
Tomasi, J.1
-
20
-
-
85009310274
-
Boys' contribution to the evolution of molecular quantum mechanics
-
S. Bachrach (ed.), (unpublished; a copy may be asked from the author)
-
rd Electronic Computational Chemistry Conference, (unpublished; a copy may be asked from the author).
-
(1996)
rd Electronic Computational Chemistry Conference
-
-
Tomasi, J.1
-
21
-
-
2442479981
-
Semiclassical interpretation of intramolecular interactions
-
Z.B. Maksic (ed.), Springer-Verlag, Berlin
-
Tomasi, J.; Alagona, G.; Bonaccorsi, R.; Ghio, C.; Cammi, R.: 1991, 'Semiclassical interpretation of intramolecular interactions', in: Z.B. Maksic (ed.), Theoretical Models of Chemical Bonding. Part 3: Molecular Spectroscopy, Electronic Structure and Intramolecular Interactions, Springer-Verlag, Berlin, pp. 545-614.
-
(1991)
Theoretical Models of Chemical Bonding. Part 3: Molecular Spectroscopy, Electronic Structure and Intramolecular Interactions
, pp. 545-614
-
-
Tomasi, J.1
Alagona, G.2
Bonaccorsi, R.3
Ghio, C.4
Cammi, R.5
-
22
-
-
0346589748
-
The extramolecular electrostatic potential. An indicator of chemical reactivity
-
Z.B. Maksic (ed.), Springer-Verlag, Berlin
-
Tomasi, J.; Bonaccorsi, R.; Cammi, R.: 1991, 'The extramolecular electrostatic potential. An indicator of chemical reactivity', in: Z.B. Maksic (ed.), Theoretical Models of Chemical Bonding. Part 4. Theoretical Treatment of Large Molecules and Their interactions, Springer-Verlag, Berlin, pp. 229-268.
-
(1991)
Theoretical Models of Chemical Bonding. Part 4. Theoretical Treatment of Large Molecules and Their Interactions
, pp. 229-268
-
-
Tomasi, J.1
Bonaccorsi, R.2
Cammi, R.3
-
23
-
-
84962427858
-
MEP: A tool for interpretation and prediction. From molecular structure to solvation effects
-
J.S. Murray, K. Sen (eds.), Elsevier, Amsterdam
-
Tomasi, J.; Mennucci, B.; Cammi, R.: 1996, 'MEP: a tool for interpretation and prediction. From molecular structure to solvation effects', in: J.S. Murray, K. Sen (eds.), Molecular Electrostatic Potentials. Concepts and Applications, Elsevier, Amsterdam, pp. 1-103.
-
(1996)
Molecular Electrostatic Potentials. Concepts and Applications
, pp. 1-103
-
-
Tomasi, J.1
Mennucci, B.2
Cammi, R.3
-
24
-
-
0001369896
-
QM/MM
-
P.v.R. Schleyer, N.L. Allinger, T. Clark, V. Gasteiger, P.A. Kollman, H.F. Schaefer III, P.R. Schreiner (eds.), Wiley, Chichester
-
Pomelli, C.S.; Tomasi, J.: 1998, 'QM/MM', in: P.v.R. Schleyer, N.L. Allinger, T. Clark, V. Gasteiger, P.A. Kollman, H.F. Schaefer III, P.R. Schreiner (eds.), The Encyclopedia of Computational Chemistry, Wiley, Chichester, vol. 4, p. 2343-2350.
-
(1998)
The Encyclopedia of Computational Chemistry
, vol.4
, pp. 2343-2350
-
-
Pomelli, C.S.1
Tomasi, J.2
-
25
-
-
0000032335
-
The hierarchy of models in chemistry
-
Trindle, C.: 1984, 'The Hierarchy of Models in Chemistry', Croatica Chemica Acta, 57, 1231-1245.
-
(1984)
Croatica Chemica Acta
, vol.57
, pp. 1231-1245
-
-
Trindle, C.1
|