Carlo Petrongolo
Carlo Petrongolo
Professor of Physical Chemistry, Istituto per i Processi Chimico-Fisici, CNR, Pisa, Italy
Email verificata su ipcf.cnr.it
Titolo
Citata da
Citata da
Anno
Ab initio study of NO2 Part II: Non-adiabatic coupling between the two lowest 2A′ states and the construction of a diabatic representation
G Hirsch, RJ Buenker, C Petrongolo
Molecular Physics 70 (5), 835-848, 1990
191*1990
Nonadiabatic treatment of the intensity distribution in the VN bands of ethylene
C Petrongolo, RJ Buenker, SD Peyerimhoff
The Journal of Chemical Physics 76 (7), 3655-3667, 1982
1691982
Ab initio study of NO2: Part II: Non-adiabatic coupling between the two lowest 2A′ states and the construction of a diabatic representation
G Hirsch, RJ Buenker, C Petrongolo
Molecular Physics 70 (5), 835-848, 1990
1501990
Theoretical investigations on the solvation process
R Bonaccorsi, C Petrongolo, E Scrocco, J Tomasi
Theoretica chimica acta 20 (4), 331-342, 1971
1341971
Current aspects of quantum chemistry
RJ Buenker, G Hirsch, SD Peyerimhoff, PJ Bruna, J Rmelt, M Bettendorff, ...
Studies in physical and theoretical chemistry 21, 17, 1981
1181981
Ab initio study of NO2. V. Nonadiabatic vibronic states and levels of the 2A1/2B2 conical intersection
E Leonardi, C Petrongolo, G Hirsch, RJ Buenker
The Journal of chemical physics 105 (20), 9051-9067, 1996
1011996
Quantum Aspects of Heterocyclic Compounds in Chemistry and Biochemistry: Proceedings of an International Symposium 1969
B Pullman, ED Bergmann
Israel Academy of Sciences and Humanities, 1970
971970
SCF Minimal Basis Set Calculations and Exclusive Orbitals for CN, HCN, N3, HN3, NCO, and HNCO
R Bonaccorsi, C Petrongolo, E Scrocco, J Tomasi
The Journal of Chemical Physics 48 (4), 1500-1508, 1968
951968
Theoretical prediction of the potential curves for the lowest‐lying states of the C2+ molecular ion
C Petrongolo, PJ Bruna, SD Peyerimhoff, RJ Buenker
The Journal of Chemical Physics 74 (8), 4594-4602, 1981
941981
Nonadiabatic theory of triatomics: General formalism and application to Renner–Teller and conical‐intersection effects
C Petrongolo
The Journal of chemical physics 89 (3), 1297-1308, 1988
891988
Quantum wave packet study of nonadiabatic effects in O (1D)+ H2→ OH+ H
SK Gray, C Petrongolo, K Drukker, GC Schatz
The Journal of Physical Chemistry A 103 (47), 9448-9459, 1999
881999
Diabatic representation of the 2A1 [Btilde] 2B2 conical intersection in NH2
C Petrongolo, G Hirsch, RJ Buenker
Molecular Physics 70 (5), 825-834, 1990
87*1990
Analytical potentials from ab initio computations for the interaction between biomolecules. IV. Water with glycine and serine zwitterions
L Carozzo, G Corongiu, C Petrongolo, E Clementi
The Journal of Chemical Physics 68 (3), 787-793, 1978
871978
Internal rotation potential energy for the glycine molecule in its zwitterionic and neutral forms. A comparison among several methods
P Palla, C Petrongolo, J Tomasi
The Journal of Physical Chemistry 84 (4), 435-442, 1980
641980
Nonadiabatic wave packet dynamics of NO 2 on the X̃ 2 A′/ 2 A′ conical intersection
F Santoro, C Petrongolo
The Journal of chemical physics 110 (9), 4419-4427, 1999
561999
Structure-activity relations of phenethylamine. Comparison of quantum mechanical SCF ab initio and semiempirical calculations
M Martin, R Carbo, C Petrongolo, J Tomasi
Journal of the American Chemical Society 97 (6), 1338-1347, 1975
551975
QUANTUM CHEMICAL STUDY OF ISOLATED AND INTERACTING MOLECULES WITH BIOLOGICAL-ACTIVITY
C Petrongolo
GAZZETTA CHIMICA ITALIANA 108 (7-8), 445-478, 1978
501978
Nonadiabatic investigation of the VN spectrum of ethylene in a new diabatic representation
C Petrongolo, RJ Buenker, SD Peyerimhoff
The Journal of Chemical Physics 78 (12), 7284-7289, 1983
481983
Trajectory-Surface-Hopping Study of the Renner−Teller Effect in the N(2D) + H2 Reaction
F Santoro, C Petrongolo, GC Schatz
The Journal of Physical Chemistry A 106 (36), 8276-8284, 2002
472002
Nonadiabatic quantum dynamics of C(1D)+H2→CH+H: Coupled-channel calculations including Renner-Teller and Coriolis terms
P Defazio, B Bussery-Honvault, P Honvault, C Petrongolo
The Journal of chemical physics 135 (11), 114308, 2011
462011
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
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