| 2009 |
Artigo em periódico |
Intramolecular Dynamics of RS-SR′ Systems (R; R′ ) H; F; Cl; CH3; C2H5): Torsional Potentials; Energy Levels; Partition Functions
Vincenzo AQUILANTI; Mirco RAGNI; Ana Carla Peixoto BITENCOURT; Glauciete S MACIEL; Frederico Vasconcellos PRUDENTE
Journal of Physical Chemistry. A; Molecules; Spectroscopy; Kinetics; Environment; & General Theory
DOI 10.1021/jp8094215
ISSN 1089-5639
|
PS
Physical and Theoretical Chemistry
|
| 2008 |
Trabalho em evento |
Quantum mechanics of torsion around -OO- and -SS- bonds. Substituent effects; level distributions; partition functions; rates of chirality change processes.
Mirco RAGNI; Ana Carla Peixoto BITENCOURT; Glauciete Sarmento MACIEL; Vincenzo AQUILANTI
1st Italian Astrobiology Society Workshop
|
PS
Physical and Theoretical Chemistry
|
| 2008 |
Trabalho em evento |
Dynamics of tetra-atomic systems: alternative orthogonal local coordinates; Hamiltonians and basis set
Mirco RAGNI; Ana Carla Peixoto BITENCOURT; Vincenzo AQUILANTI
VI Workshop em Fisica Molecular e Espectroscopia
|
PS
Atomic and Molecular Physics; and Optics
|
| 2008 |
Trabalho em evento |
Elementary Processes in Atmosferic Scienze: Quantum Studies of Intermolecular Dimer Formation and of Intramolecular Dynamics.
Glauciete Sarmento MACIEL; Ana Carla Peixoto BITENCOURT; Mirco RAGNI; Vincenzo AQUILANTI
II Simpósio de Estrutura Eletrônica e Dinâmica Molecular
|
PS
Physical and Theoretical Chemistry
|
| 2008 |
Trabalho em evento |
Distribuição de níveis e função de partição: mudança de quiralidade para o modo torsional em torno da ligação O-O
Ana Carla Peixoto BITENCOURT; Mirco RAGNI; Glauciete Sarmento MACIEL; Vincenzo AQUILANTI; Frederico Vasconcellos PRUDENTE
VI Workshop de Física Molecular e Espectróscopia
|
PS
Physical and Theoretical Chemistry
|
| 2008 |
Artigo em periódico |
Level distributions; partition functions; and rates of chirality changing processes for the torsional mode around O¿O bonds
Bitencourt Ana C P; Mirco RAGNI; Maciel Glauciete S; Aquilanti VINCENZO; Prudente Frederico V
The Journal of Chemical Physics
DOI 10.1063/1.2992554
ISSN 0021-9606
|
PS
Physical and Theoretical Chemistry
|
| 2008 |
Artigo em periódico |
Quantum and semiclassical spin networks: from atomic and molecular physics to quantum computing and gravity
Aquilanti VINCENZO; Bitencourt Ana Carla P; Ferreira Cristiane Da S; Marzuoli ANNALISA; Mirco RAGNI
Physica Scripta (Print)
DOI 10.1088/0031-8949/78/05/058103
ISSN 0031-8949
|
PS
Atomic and Molecular Physics; and Optics
|
| 2007 |
Capítulo de livro |
Hyperspherical and related types of coordinates for the dynamical treatment of three-body systems
Mirco RAGNI; Ana Carla Peixoto BITENCOURT; Vincenzo AQUILANTI
Topics in the Theory Of Chemical and Physical Systems
ISBN 9781402054594
|
PS
Mathematical Physics
|
| 2007 |
Trabalho em evento |
Alternative orthogonal local coordinates for the dynamics of tetra-atomic systems.
Frederico Vasconcellos PRUDENTE; Mirco RAGNI; Ana Carla Peixoto BITENCOURT; Vincenzo AQUILANTI
XXX Encontro Nacional de Fsica da Matria Condensada
|
PS
Condensed Matter Physics
|
| 2007 |
Trabalho em evento |
Alternative Orthogonal Local Coordinates for the Dynamics of Tetra-Atomic Systems
Ana Carla Peixoto BITENCOURT; Mirco RAGNI; Frederico Vasconcellos PRUDENTE; Vincenzo AQUILANTI
XXVII Convegno Interregionale sezioni Toscana Umbria Marche Abruzzo
|
PS
Mathematical Physics
|
| 2007 |
Trabalho em evento |
Effetti della Sostituzione Alchilica ed Alogenidrica sul Livelli Torsionali del Legame Perossidico
Mirco RAGNI; Ana Carla Peixoto BITENCOURT; Glauciete Sarmento MACIEL; Vincenzo AQUILANTI
XXVII Convegno Interregionale sezioni Toscana Umbria Marche Abruzzo
|
PS
Physical and Theoretical Chemistry
|
| 2007 |
Trabalho em evento |
Dynamics of Tetra-Atomic Systems: Alternative Orthogonal Local Coordinates; Hamiltonians and Basis Set
Ana Carla Peixoto BITENCOURT; Mirco RAGNI; Vincenzo AQUILANTI
Molecular and Nanidynamics from Atoms to Biomolecules
|
PS
Physical and Theoretical Chemistry
|
| 2007 |
Trabalho em evento |
Peroxidic bonds and torsional levels: the effect of alkyl and halogen substitutions
Glauciete Sarmento MACIEL; Ana Carla Peixoto BITENCOURT; Mirco RAGNI; Vincenzo AQUILANTI
Twelfth European Workshop on Quantum Systems in Chemistry and Physics
|
PS
Physical and Theoretical Chemistry
|
| 2007 |
Trabalho em evento |
Quantum Chemical Study of Peroxidic Bonds and Torsional Levels for ROOR? Molecules (R; R? = H; CH3; C2H5; F; Cl; NO; CN)
Glauciete Sarmento MACIEL; Ana Carla Peixoto BITENCOURT; Vincenzo AQUILANTI; Mirco RAGNI
Molecular and Nanidynamics from Atoms to Biomolecules
|
PS
Physical and Theoretical Chemistry
|
| 2007 |
Artigo em periódico |
Alkyl peroxides: Effect of substituent groups on the torsional mode around the O?O bond
Maciel Glauciete S; Bitencourt Ana Carla P; Mirco RAGNI; Aquilanti VINCENZO
International Journal of Quantum Chemistry
DOI 10.1002/qua.21462
ISSN 0020-7608
|
PS
Physical and Theoretical Chemistry
|
| 2007 |
Artigo em periódico |
Orthogonal coordinates for the dynamics of four bodies and for the representation of potentials of tetra-atomic molecules
Mirco RAGNI; Bitencourt Ana Carla P; Aquilanti VINCENZO
International Journal of Quantum Chemistry
DOI 10.1002/qua.21481
ISSN 0020-7608
|
PS
Mathematical Physics
|
| 2007 |
Artigo em periódico |
Quantum Study of Peroxidic Bonds and Torsional Levels for ROOR` Molecules (R; R` = H; F; Cl; NO; CN)
Maciel Glauciete S; Bitencourt Ana Carla P; Mirco RAGNI; Aquilanti VINCENZO
The Journal of Physical Chemistry. A
DOI 10.1021/jp076017m
ISSN 1089-5639
|
PS
Physical and Theoretical Chemistry
|
| 2006 |
Trabalho em evento |
Resonances; differential and integral cross sections; and rate constants for elementary reactions: Exact quantum dynamics and comparison with experiments.
Mirco RAGNI; Ana Carla Peixoto BITENCOURT; Dario De FAZIO; Simonetta CAVALLI; Vincenzo AQUILANTI et al
International Symposium of Theoretical Chemistry
|
PS
Physical and Theoretical Chemistry
|
| 2006 |
Trabalho em evento |
Hyperspherical and related types of coordinates for the dynamical treatment of FEW-BODY system.
Ana Carla Peixoto BITENCOURT; Mirco RAGNI; Vincenzo AQUILANTI
XXIX Encontro Nacional de Fsica da Matria Condensada
|
PS
Atomic and Molecular Physics; and Optics
|
| 2006 |
Trabalho em evento |
Exact dynamics of the triatomic reactions: resonances; differential and integral cross sections; rate constants and comparison with experiments.
Dario De FAZIO; Ana Carla Peixoto BITENCOURT; Mirco RAGNI; Simonetta CAVALLI; Vincenzo AQUILANTI et al
Elettronic Structure: Principles and Applications
|
PS
Physical and Theoretical Chemistry
|
| 2006 |
Trabalho em evento |
Coordinate locali ortogonali alternative per stati legati e reazioni di sistemi tetra-atomici.
Ana Carla Peixoto BITENCOURT; Mirco RAGNI; Dario De FAZIO; Simonetta CAVALLI; Vincenzo AQUILANTI et al
XXXIII Congresso de Químicos Teóricos de Expressão Latína
|
PS
Physical and Theoretical Chemistry
|
| 2006 |
Trabalho em evento |
Dinamica per sistemi triatomici prototipi usando l?algoritmo di iperquantizzazione
Mirco RAGNI; Ana Carla Peixoto BITENCOURT; Dario De FAZIO; Simonetta CAVALLI; Vincenzo AQUILANTI et al
XXXIII Congresso de Químicos Teóricos de Expressão Latína
|
PS
Physical and Theoretical Chemistry
|
| 2006 |
Trabalho em evento |
Benchmark dynamics for prototypical triatomic systems by hyperquantization algorithm.
Mirco RAGNI; Ana Carla Peixoto BITENCOURT; Dario De FAZIO; Simonetta CAVALLI; Vincenzo AQUILANTI et al
MOLEC XVI - European Conference on Dynamics of Molecular Systems
|
PS
Physical and Theoretical Chemistry
|
| 2006 |
Artigo em periódico |
Studies of the dynamics around the O¿O bond: Orthogonal local modes of hydrogen peroxide
Maciel G; Bitencourt A; Mirco RAGNI; Aquilanti V
Chemical Physics Letters (Print)
DOI 10.1016/j.cplett.2006.10.073
ISSN 0009-2614
|
PS
Physical and Theoretical Chemistry
|