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Theoretical Reaction Kinetics Astride the Transition between Moderate and Deep Tunneling Regimes: The F + HD Case

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-08, Vol.118 (33), p.6632-6641

2014

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Calculation of MP2 and Coupled-Cluster Molecular Properties Using the q-Integral Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-12, Vol.113 (52), p.14691-14698

2009

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New Stochastic Strategy to Analyze Helix Folding

Biophysical journal, 2002-03, Vol.82 (3), p.1123-1132

2002

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A study of dihydrogen bond interactions through three-centre bond and group indices

Molecular simulation, 2009-04, Vol.35 (4), p.342-348

2009

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Classical and quantum conformational analysis using Generalized Genetic Algorithm

Physica A, 2006-05, Vol.363 (2), p.260-268

2006

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Exact activation energies and phenomenological description of quantum tunneling for model potential energy surfaces. The F+H2 reaction at low temperature

Chemical physics, 2012-04, Vol.398, p.186-191

2012

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Lifetime and kinetic energy release of metastable dications dissociation

Chemical physics, 2012-04, Vol.398, p.134-141

2012

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Microstructure of Cu–C interface in Cu-based metal matrix composite

Sensors and actuators. A, Physical, 1999-04, Vol.74 (1), p.86-90

1999

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GSA algorithm applied to electronic structure: Hartree-Fock-GSA method

International journal of quantum chemistry, 2005, Vol.103 (5), p.493-499

2005

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Stochastic molecular optimization using generalized simulated annealing

Journal of computational chemistry, 1998-04, Vol.19 (6), p.647-657

1998

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Formation of nano-crystalline structure at the interface in Cu–C composite

Applied surface science, 1999-04, Vol.144, p.677-681

1999

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Optimization of non-linear gravity models through generalized simulated annealing

Physica A, 1998-04, Vol.252 (3), p.405-416

1998

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Diesel-like fuel obtained by pyrolysis of vegetable oils

Journal of analytical and applied pyrolysis, 2004, Vol.71 (2), p.987-996

2004

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Modeling diatomic potential energy curves through the generalized exponential function

Chemical physics letters, 2006-08, Vol.427 (1), p.10-13

2006

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Nonempirical potentials in modelling of boron adhesion on a (110) tungsten surface

Journal of physics. Condensed matter, 2003-01, Vol.15 (2), p.17-27

2003

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Interstitial carbon in copper: Electronic and mechanical properties

Philosophical magazine. B, Physics of condensed matter. Structural, electronic, optical, and magnetic properties., 1999-10, Vol.79 (10), p.1615-1630

1999

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Many-Body Ab Initio Potentials in Simulations of Grain Boundary Sliding and Decohesion in Metals

Advanced engineering materials, 2002-08, Vol.4 (8), p.580-584

2002

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Nonempirical simulations of boron interstitials in tungsten

Physica. B, Condensed matter, 2001-08, Vol.301 (3), p.239-254

2001

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Calculation of MP 2 and Coupled-Cluster Molecular Properties Using the q-Integral Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-12, Vol.113 (52), p.14691-14698

2009

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An improvement of quantum parametric methods by using SGSA parameterization technique and new elementary parametric functionals

International journal of quantum chemistry, 2010-03, Vol.110 (3), p.755-764

2010

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Analysis of the 001 Reflection of Nickel-Fluorohectorite by Synchrotron X-Ray Diffraction

Revista Virtual de Química, 2016, Vol.8 (2), p.493-505

2016

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Stable states in ferroelectric liquid crystals

Physica status solidi. B. Basic research, 1996-10, Vol.197 (2), p.517-524

1996

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Modeling of Boron Adsorption on the (110) Tungsten Surface

Surface review and letters, 2003-04, Vol.10 (2n03), p.213-219

2003

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An analytical procedure to evaluate electronic integrals for molecular quantum mechanical calculations

Physica A, 2005-05, Vol.350 (2-4), p.338-348

Mundim, Kleber Carlos

2005

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Stochastic classical molecular dynamics coupled to functional density theory: applications to large molecular systems

Brazilian journal of physics, 1999-03, Vol.29 (1), p.199-214

1999

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Theoretical Reaction Kinetics Astride the Transition between Moderate and Deep Tunneling Regimes: The F + HD Case

Calculation of MP2 and Coupled-Cluster Molecular Properties Using the q-Integral Method

New Stochastic Strategy to Analyze Helix Folding

A study of dihydrogen bond interactions through three-centre bond and group indices

Classical and quantum conformational analysis using Generalized Genetic Algorithm

Exact activation energies and phenomenological description of quantum tunneling for model potential energy surfaces. The F+H2 reaction at low temperature

Lifetime and kinetic energy release of metastable dications dissociation

Microstructure of Cu–C interface in Cu-based metal matrix composite

GSA algorithm applied to electronic structure: Hartree-Fock-GSA method

Stochastic molecular optimization using generalized simulated annealing

Formation of nano-crystalline structure at the interface in Cu–C composite

Optimization of non-linear gravity models through generalized simulated annealing

Diesel-like fuel obtained by pyrolysis of vegetable oils

Modeling diatomic potential energy curves through the generalized exponential function

Nonempirical potentials in modelling of boron adhesion on a (110) tungsten surface

Interstitial carbon in copper: Electronic and mechanical properties

Many-Body Ab Initio Potentials in Simulations of Grain Boundary Sliding and Decohesion in Metals

Nonempirical simulations of boron interstitials in tungsten

Calculation of MP 2 and Coupled-Cluster Molecular Properties Using the q-Integral Method

An improvement of quantum parametric methods by using SGSA parameterization technique and new elementary parametric functionals

Analysis of the 001 Reflection of Nickel-Fluorohectorite by Synchrotron X-Ray Diffraction

Stable states in ferroelectric liquid crystals

Modeling of Boron Adsorption on the (110) Tungsten Surface

An analytical procedure to evaluate electronic integrals for molecular quantum mechanical calculations

Stochastic classical molecular dynamics coupled to functional density theory: applications to large molecular systems

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