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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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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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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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Lifetime and kinetic energy release of metastable dications dissociation

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

2012

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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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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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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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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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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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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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Hamiltonian dynamics of the landau model of ferroelectric liquid crystals (II)

Physica status solidi. B. Basic research, 1994-05, Vol.183 (1), p.103-115

1994

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Multifractality, Levinthal paradox, and energy hypersurface

Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 2001, Vol.63 (2 Pt 1), p.020901-020901, Article 020901

2001

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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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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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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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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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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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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

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

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

Classical and quantum conformational analysis using Generalized Genetic Algorithm

Lifetime and kinetic energy release of metastable dications dissociation

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

Stochastic molecular optimization using generalized simulated annealing

Interstitial carbon in copper: Electronic and mechanical properties

Stable states in ferroelectric liquid crystals

Optimization of non-linear gravity models through generalized simulated annealing

Diesel-like fuel obtained by pyrolysis of vegetable oils

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

Modeling diatomic potential energy curves through the generalized exponential function

Hamiltonian dynamics of the landau model of ferroelectric liquid crystals (II)

Multifractality, Levinthal paradox, and energy hypersurface

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

Modeling of Boron Adsorption on the (110) Tungsten Surface

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

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

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

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

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