Artigo em revista |
- Fujimoto, M. M.; Tanaka, H. K.; Marinho, R. R. T.; Medina, A.; Prudente, F. V.; Homem, M. G. P.. "Cross Sections and Asymmetry
Parameters for Formic Acid in the Vacuum-Ultraviolet Energy Range". The Journal of Physical Chemistry A 124 32 (2020):
6478-6485. http://dx.doi.org/10.1021/acs.jpca.0c03520.
Publicado • 10.1021/acs.jpca.0c03520
- Maniero, A M; de Carvalho, C R; Prudente, F V; Jalbert, Ginette. "Oscillating properties of a two-electron quantum dot in
the presence of a magnetic field". Journal of Physics B: Atomic, Molecular and Optical Physics 53 18 (2020): 185001.
http://dx.doi.org/10.1088/1361-6455/ab9f0f.
Publicado • 10.1088/1361-6455/ab9f0f
- Nascimento, Wallas S; Almeida, Marcos M de; Prudente, Frederico V. "Information and quantum theories: an analysis in one-dimensional
systems". European Journal of Physics 41 2 (2020): 025405. http://dx.doi.org/10.1088/1361-6404/ab5f7d.
Publicado • 10.1088/1361-6404/ab5f7d
- Guimarães, M. N.; M. de Almeida, M.; Marques, J. M. C.; Prudente, F. V.. "A thermodynamic view on the microsolvation of ions
by rare gas: application to Li+ with argon". Physical Chemistry Chemical Physics 22 19 (2020): 10882-10892. http://dx.doi.org/10.1039/d0cp01283a.
Publicado • 10.1039/d0cp01283a
- Maniero, A M; de Carvalho, C R; Prudente, F V; Jalbert, Ginette. "Effect of a laser field in the confinement potential of
two electrons in a double quantum dot". Journal of Physics B: Atomic, Molecular and Optical Physics 52 9 (2019): 095103.
http://dx.doi.org/10.1088/1361-6455/ab0574.
10.1088/1361-6455/ab0574
- Jesus, Wanderson S.; Prudente, Frederico V.; Marques, Jorge M. C.. "Microsolvation of Li+ in a Mixture of Argon and Krypton:
Unveiling the Most Stable Structures of the Clusters". The Journal of Physical Chemistry A 123 13 (2019): 2867-2873.
http://dx.doi.org/10.1021/acs.jpca.9b00960.
Publicado • 10.1021/acs.jpca.9b00960
- Jesus, Wanderson S.; Marques, Jorge M. C.; Prudente, Frederico V.; Pereira, Francisco B.. "Exploring the first-shell and second-shell
structures arising in the microsolvation of Li+ by rare gases". International Journal of Quantum Chemistry 119 13 (2018):
e25860. http://dx.doi.org/10.1002/qua.25860.
10.1002/qua.25860
- Nascimento, W.S.; Prudente, F.V.. "Shannon entropy: A study of confined hydrogenic-like atoms". Chemical Physics Letters
691 (2018): 401-407. http://www.scopus.com/inward/record.url?eid=2-s2.0-85035792978&partnerID=MN8TOARS.
10.1016/j.cplett.2017.11.048
- Prudente, Frederico V.; Marques, Jorge M. C.; Pereira, Francisco B.. "Correction: Solvation of Li+ by argon: how important
are three-body forces?". Physical Chemistry Chemical Physics 20 24 (2018): 16877-16882. http://dx.doi.org/10.1039/c8cp91778g.
10.1039/c8cp91778g
- Santos, Robenilson F.; Arruda, Manuela S.; Bitencourt, Ana Carla P.; Ragni, Mirco; Prudente, Frederico V.; Coletti, Cecilia;
Marzuoli, Annalisa; Aquilanti, Vincenzo. "Quantum angular momentum, projective geometry and the networks of seven and ten
spins: Fano, Desargues and alternative incidence configurations". Journal of Molecular Spectroscopy 337 (2017): 153-162.
http://dx.doi.org/10.1016/j.jms.2017.05.005.
Publicado • 10.1016/j.jms.2017.05.005
- Frederico V. Prudente; Jorge M. C. Marques; Francisco B. Pereira; Prudente, F.V.; Marques, J.M.C.; Pereira, F.B.. "Solvation
of Li+ by argon: how important are three-body forces?". Physical Chemistry Chemical Physics 19 37 (2017): 25707-25716.
https://doi.org/10.1039/C7CP04549B.
10.1039/C7CP04549B
- Tanaka, H.K.; Prudente, F.V.; Medina, A.; Marinho, R.R.T.; Homem, M.G.P.; Machado, L.E.; Fujimoto, M.M.. "Photoabsorption
and photoionization cross sections for formaldehyde in the vacuum-ultraviolet energy range". Journal of Chemical Physics
146 9 (2017): http://www.scopus.com/inward/record.url?eid=2-s2.0-85014959574&partnerID=MN8TOARS.
10.1063/1.4977605
- Santos, R.F.; Bitencourt, A.C.P.; Ragni, M.; Prudente, F.V.; Coletti, C.; Marzuoli, A.; Aquilanti, V.. "Couplings and recouplings
of four angular momenta: Alternative 9j symbols and spin addition diagrams". Journal of Molecular Modeling 23 4 (2017):
http://www.scopus.com/inward/record.url?eid=2-s2.0-85016578088&partnerID=MN8TOARS.
10.1007/s00894-017-3320-1
- Nascimento, W.S.; Prudente, F.V.. "Study of Shannon entropy in the context of quantum mechanics: An application to free and
confined harmonic oscillator,Sobre um estudo da entropia de Shannon no contexto da mecânica quântica: Uma aplicação ao oscilador
harmônico livre e confinado". Quimica Nova 39 6 (2016): 757-764. http://www.scopus.com/inward/record.url?eid=2-s2.0-84982095775&partnerID=MN8TOARS.
10.5935/0100-4042.20160045
- Olavo, L.S.F.; Maniero, A.M.; Carvalho, C.R.D.; Prudente, F.V.; Jalbert, G.. "Choice of atomic basis set for the study of
two electrons in a harmonic anisotropic quantum dot using a configuration interaction approach". Journal of Physics B:
Atomic, Molecular and Optical Physics 49 14 (2016): http://www.scopus.com/inward/record.url?eid=2-s2.0-84978198564&partnerID=MN8TOARS.
10.1088/0953-4075/49/14/145004
- Arruda, M.S.; Medina, A.; Sousa, J.N.; Mendes, L.A.V.; Marinho, R.R.T.; Prudente, F.V.. "Ionization and Fragmentation of DCOOD
Induced by Synchrotron Radiation at the Oxygen 1s Edge: The Role of Dimer Formation". Journal of Physical Chemistry A
120 27 (2016): 5325-5336. http://www.scopus.com/inward/record.url?eid=2-s2.0-84978730701&partnerID=MN8TOARS.
10.1021/acs.jpca.6b01714
- Ragni, M.; Bitencourt, A.C.P.; Prudente, F.V.; Barreto, P.R.P.; Posati, T.. "Umbrella motion of the methyl cation, radical,
and anion molecules: II. Effects of temperature on time dependent inversion dynamics". European Physical Journal D
70 3 (2016): http://www.scopus.com/inward/record.url?eid=2-s2.0-84961710674&partnerID=MN8TOARS.
10.1140/epjd/e2016-60531-1
- Ragni, M.; Bitencourt, A.C.P.; Prudente, F.V.; Barreto, P.R.P.; Posati, T.. "Umbrella motion of the methyl cation, radical,
and anion molecules: I. Potentials, energy levels and partition functions". European Physical Journal D 70 3 (2016):
http://www.scopus.com/inward/record.url?eid=2-s2.0-84961751146&partnerID=MN8TOARS.
10.1140/epjd/e2016-60530-2
- Arruda, M.S.; Medina, A.; Sousa, J.N.; Mendes, L.A.V.; Marinho, R.R.T.; Prudente, F.V.. "Communication: Protonation process
of formic acid from the ionization and fragmentation of dimers induced by synchrotron radiation in the valence region". Journal
of Chemical Physics 144 14 (2016): http://www.scopus.com/inward/record.url?eid=2-s2.0-84966330667&partnerID=MN8TOARS.
10.1063/1.4945807
- Arruda, M.S.; Medina, A.; Sousa, J.N.; Mendes, L.A.V.; Marinho, R.R.T.; Prudente, F.V.. "Ionization and Fragmentation of Formamide
Induced by Synchrotron Radiation in the Valence Region via Photoelectron Photoion Coincidence Measurements and Density Functional
Theory Calculations". Journal of Physical Chemistry A 119 41 (2015): 10300-10308. http://www.scopus.com/inward/record.url?eid=2-s2.0-84944224661&partnerID=MN8TOARS.
10.1021/acs.jpca.5b07464
- Barbosa, T.N.; Almeida, M.M.; Prudente, F.V.. "A quantum Monte Carlo study of confined quantum systems: Application to harmonic
oscillator and hydrogenic-like atoms". Journal of Physics B: Atomic, Molecular and Optical Physics 48 5 (2015): http://www.scopus.com/inward/record.url?eid=2-s2.0-84923287047&partnerID=MN8TOARS.
10.1088/0953-4075/48/5/055002
- Guimaraes, M. N.; Ragni, M.; Bitencourt, A. C. P.; Prudente, F. V.. "Alternative hyperspherical adiabatic decoupling scheme
for tetratomic molecules: quantum two-dimensional study of the ammonia umbrella motion". European Physical Journal D
67 12 (2013):
10.1140/epjd/e2013-40371-3
- Ferreira, F. J. S.; Prudente, F. V.. "Pekeris approximation - another perspective". Physics Letters A 377 42 (2013):
3027-3032.
10.1016/j.physleta.2013.09.028
- Arruda, Manuela S.; Marinho, Ricardo R. T.; Maniero, Angelo M.; Mundin, Maria Suely P.; Mocellin, Alexandra; Pilling, Sergio;
de Brito, Arnaldo N.; Prudente, Frederico V.. "Theoretical-Experimental Study of Formic Acid Photofragmentation in the Valence
Region". Journal of Physical Chemistry a 116 25 (2012): 6693-6701.
10.1021/jp209259j
- Guimaraes, M. N.; Prudente, F. V.. "A variational adiabatic hyperspherical finite element R matrix methodology: general formalism
and application to H+H-2 reaction". European Physical Journal D 64 2-3 (2011): 287-296.
10.1140/epjd/e2011-20227-8
- Nascimento, EM; Prudente, FV; Guimaraes, MN; Maniero, AM. "A study of the electron structure of endohedrally confined atoms
using a model potential". Journal of Physics B-Atomic Molecular and Optical Physics 44 1 (2011):
10.1088/0953-4075/44/1/015003
- Almeida, Marcos M.; Prudente, Frederico V.; Fellows, Carlos E.; Marques, Jorge M. C.; Pereira, Francisco B.. "Direct fit of
spectroscopic data of diatomic molecules by using genetic algorithms: II. The ground state of RbCs". Journal of Physics
B-Atomic Molecular and Optical Physics 44 22 (2011):
10.1088/0953-4075/44/22/225102
- Ragni, Mirco; Prudente, Frederico V.; Bitencourt, Ana C. P.; Barreto, Patricia R. P.. "Analysis of Vibrational Modes of the
P-4 Molecule Through Hyperspherical Variants of the Local Orthogonal Coordinates: The Limit of Dissociation in Dimers". International
Journal of Quantum Chemistry 111 7-8 (2011): 1719-1733.
10.1002/qua.22763
- Prudente, FV; Marques, JMC; Maniero, AM. "Time-dependent wave packet calculation of the LiH plus H reactive scattering on
a new potential energy surface". Chemical Physics Letters 474 1-3 (2009): 18-22.
10.1016/j.cplett.2009.04.016
- Aquillanti, V; Ragni, M; Bitencourt, ACP; Maciel, GS; Prudente, FV. "Intramolecular Dynamics of RS-SR ' Systems (R, R ' =
H, F, Cl, CH3, C-2 H-5): Torsional Potentials, Energy Levels, Partition Functions". Journal of Physical Chemistry a
113 16 (2009): 3804-3813.
10.1021/jp8094215
- BITENCOURT, ACP; RAGNI, M; MACIEL, GS; et al.. "Level distributions, partition functions, and rates of chirality changing
processes for the torsional mode around O-O bonds". JOURNAL OF CHEMICAL PHYSICS 129 15 (2008):
10.1063/1.2992554
- MARQUES, JMC; PRUDENTE, FV; PEREIRA, FB; et al.. "A new genetic algorithm to be used in the direct fit of potential energy
curves to ab initio and spectroscopic data". JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 41 8 (2008):
10.1088/0953-4075/41/8/085103
- POLITO, AMM; FIGUEIREDO, A; DA ROCHA, RM; et al.. "The characteristic function method applied to molecular dynamics of inelastic
granular gases". PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS 373 (2007): 392-416.
10.1016/j.physa.2005.12.072
- BITENCOURT, ACP; PRUDENTE, FV; VIANNA, JDM. "Diabatic potential-optimized discrete variable representation: application to
photodissociation process of the CO molecule". JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 40 11 (2007):
2075-2090.
10.1088/0953-4075/40/11/010
- RIVELINO, R; MANIERO, AM; PRUDENTE, FV; et al.. "Theoretical calculations of the structure and UV-vis absorption spectra of
hydrated C-60 fullerene". CARBON 44 14 (2006): 2925-2930.
10.1016/j.carbon.2006.05.039
- POLITO, AMM; FIGUEIREDO, A; COSTA, LS; et al.. "The multiple dependence of the velocity distributions of granular gases on
the simulation conditions". PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS 371 1 (2006): 50-53.
10.1016/j.physa.2006.04.097
- PRUDENTE, FV; COSTA, LS; VIANNA, JDM. "A study of two-electron quantum dot spectrum using discrete variable representation
method". JOURNAL OF CHEMICAL PHYSICS 123 22 (2005):
10.1063/1.2131068
- GUIMARAES, MN; PRUDENTE, FV. "A study of the confined hydrogen atom using the finite element method". JOURNAL OF PHYSICS
B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 38 15 (2005): 2811-2825.
10.1088/0953-4075/38/15/017
- BITTENCOURT, ACP; PRUDENTE, FV; VIANNA, JDM. "The fitting of potential energy and transition moment functions using neural
networks: transition probabilities in OH (A(2)Sigma(+)-> X-2 Pi)". CHEMICAL PHYSICS 297 1-3 (2004): 153-161.
10.1016/j.chemphys.2003.10.015
- PRUDENTE, FV; COSTA, LS; ACIOLI, PH. "Guiding function and basis function optimization in correlation function quantum Monte
Carlo calculations of vibrational excited states in molecules". JOURNAL OF PHYSICAL CHEMISTRY A 108 7 (2004): 1305-1311.
10.1021/jp036575a
- PRUDENTE, FV; RIGANELLI, A; MARQUES, JMC. "Time dependent wave packet study of the electronically non-adiabatic Cl+H-2 reaction
using a one-dimensional model". PHYSICAL CHEMISTRY CHEMICAL PHYSICS 5 11 (2003): 2354-2359.
10.1039/b301010d
- PRUDENTE, FV; VARANDAS, AJC. "A direct evaluation of the partition function and thermodynamic data for water at high temperatures".
JOURNAL OF PHYSICAL CHEMISTRY A 106 25 (2002): 6193-6200.
10.1021/jp020797b
- Urbano, A.P.A.; Prudente, F.V.; Riganelli, A.; Varandas, A.J.C.. "Vibrational partition functions for atom-diatom and atom-triatom
van der Waals systems". Physical Chemistry Chemical Physics 3 22 (2001): 5000-5005. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035173113&partnerID=MN8TOARS.
10.1039/b104569p
- Riganelli, A.; Prudente, F.V.; Varandas, A.J.C.. "On the rovibrational partition function of molecular hydrogen at high temperatures".
Journal of Physical Chemistry A 105 41 (2001): 9518-9521. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035909759&partnerID=MN8TOARS.
10.1021/jp011330o
- PRUDENTE, FV; RIGANELLI, A; VARANDAS, AJC. "Calculation of the rovibrational partition function using classical methods with
quantum corrections". JOURNAL OF PHYSICAL CHEMISTRY A 105 21 (2001): 5272-5279.
10.1021/jp0043928
- Prudente, F.V.; Riganelli, A.; Varandas, A.J.C.. "The discrete variable representation method for bound state eigenvalues
and eigenfunctions". Revista Mexicana de Fisica 47 6 (2001): 568-575. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035564869&partnerID=MN8TOARS.
- Prudente, F.V.; Costal, L.S.; Acioli, P.H.. "Correlation function quantum Monte Carlo studies of rovibrational excited states
in molecules". Journal of Physics B: Atomic, Molecular and Optical Physics 33 22 (2000): http://www.scopus.com/inward/record.url?eid=2-s2.0-0034315089&partnerID=MN8TOARS.
10.1088/0953-4075/33/22/201
- Costa, L.S.; Prudente, F.V.; Acioli, P.H.. "Generalized rotating wave function for quantum Monte Carlo calculations of rovibrational
levels of n-body systems". Physical Review A - Atomic, Molecular, and Optical Physics 61 1 (2000): 7-7. http://www.scopus.com/inward/record.url?eid=2-s2.0-85037225598&partnerID=MN8TOARS.
10.1103/PhysRevA.61.012506
- Riganelli, A.; Prudente, F.V.; Varandas, A.J.C.. "Evaluation of vibrational partition functions for polyatomic systems: Quantum
versus classical methods for H2O and Ar···CN". Physical Chemistry Chemical Physics 2 18 (2000): 4121-4129.
http://www.scopus.com/inward/record.url?eid=2-s2.0-0034665190&partnerID=MN8TOARS.
10.1039/b001746i
- Acioli, P.H.; Costa, L.S.; Prudente, F.V.. "Quantum Monte Carlo study of vibrational states of silanone". Chemical Physics
Letters 321 1-2 (2000): 121-125. http://www.scopus.com/inward/record.url?eid=2-s2.0-0004711665&partnerID=MN8TOARS.
- Costa, L.S.; Prudente, F.V; Acioli, P.H.; Soares Neto, J.J.; Vianna, J.D.M.. "Study of confined quantum systems using the
Woods-Saxon potential". Journal of Physics B: Atomic, Molecular and Optical Physics 32 10 (1999): 2461-2470. http://www.scopus.com/inward/record.url?eid=2-s2.0-0032637778&partnerID=MN8TOARS.
10.1088/0953-4075/32/10/313
- Acioli, P.H.; Costa, L.S.; Prudente, F.V.. "Quantum Monte Carlo study of rovibrational states utilizing rotating wavefunctions:
Application to H2O". Journal of Chemical Physics 111 14 (1999): 6311-6315. http://www.scopus.com/inward/record.url?eid=2-s2.0-0001673772&partnerID=MN8TOARS.
10.1063/1.479935
- Prudente, F.V.; Soares Neto, J.J.. "Optimized mesh for the finite-element method using a quantum-mechanical procedure". Chemical
Physics Letters 302 1-2 (1999): 43-48. http://www.scopus.com/inward/record.url?eid=2-s2.0-0008300295&partnerID=MN8TOARS.
- Prudente, F.V.; Soares Neto, J.J.. "Quantum scattering using a novel implementation based on the variational R matrix formalism
and the finite element method: A comparative study". Chemical Physics Letters 309 5-6 (1999): 471-478. http://www.scopus.com/inward/record.url?eid=2-s2.0-0346875910&partnerID=MN8TOARS.
- Prudente, F.V.; Acioli, P.H.. "Quantum-Monte Carlo study of rovibrational states of molecular systems". Chemical Physics
Letters 302 3-4 (1999): 249-254. http://www.scopus.com/inward/record.url?eid=2-s2.0-0004709575&partnerID=MN8TOARS.
- Prudente, F.V.; Acioli, P.H.; Neto, J.J.S.. "The fitting of potential energy surfaces using neural networks: Application to
the study of vibrational levels of H3+". Journal of Chemical Physics 109 20 (1998): 8801-8808.
http://www.scopus.com/inward/record.url?eid=2-s2.0-0000735558&partnerID=MN8TOARS.
10.1063/1.477550
- Prudente, F.V.; Soares Neto, J.J.. "The fitting of potential energy surfaces using neural networks. Application to the study
of the photodissociation processes". Chemical Physics Letters 287 5-6 (1998): 585-589. http://www.scopus.com/inward/record.url?eid=2-s2.0-0032495943&partnerID=MN8TOARS.
- Prudente, F.V.; Costa, L.S.; Soares Neto, J.J.. "Discrete variable representation and negative imaginary potential to study
metastable states and photodissociation processes. Application to diatomic and triatomic molecules". Journal of Molecular
Structure: THEOCHEM 394 2-3 (1997): 169-180. http://www.scopus.com/inward/record.url?eid=2-s2.0-0000876604&partnerID=MN8TOARS.
- Soares Neto, J.J.; Prudente, F.V.. "A novel finite element method implementation for calculating bound states of triatomic
systems: Application to the water molecule". Theoretica Chimica Acta 89 5-6 (1994): 415-427. http://www.scopus.com/inward/record.url?eid=2-s2.0-0001143676&partnerID=MN8TOARS.
10.1007/BF01114111
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