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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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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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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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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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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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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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Convergence of the generalized simulated annealing method with independent parameters for the acceptance probability, visitation distribution, and temperature functions

International journal of quantum chemistry, 2008, Vol.108 (13), p.2392-2397

2008

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Macrocycle–macrocycle interactions within one‐dimensional Cu phthalocyanine chains

Journal of porphyrins and phthalocyanines, 1999-03, Vol.3 (3), p.196-209

1999

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Atomic basis sets optimization using the generalized simulated annealing approach: New basis sets for the first row elements

International journal of quantum chemistry, 2008, Vol.108 (13), p.2486-2498

2008

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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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Hamiltonian Dynamics of the Landau Model of Ferroelectric Liquid Crystals. I

Physica status solidi. B. Basic research, 1993-09, Vol.179 (1), p.53-58

1993

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Atomistic study of interaction zone at copper–carbon interfaces

Materials Science & Engineering C, 2001-08, Vol.15 (1), p.191-193

2001

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Simulations of decohesion and slip of the Sigma sub 3 (111) grain boundary in tungsten with non-empirically derived interatomic potentials: the influence of boron interstitials

Journal of physics. Condensed matter, 2001-08, Vol.13 (31), p.6719-6740

2001

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Projector in constrained quantum dynamics

Il Nuovo cimento, A, 1989-02, Vol.101 (2), p.345-352

1989

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Relaxation of atoms in the tungsten capital sigma sub(3)(111) grain boundary with and without boron interstitials

Solid state communications, 2001-05, Vol.118 (6), p.301-304

2001

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Modeling of the sliding resistance of Sigma sub 3 < 111 > tungsten grain boundary: influence of boron additive

Composites. Part A, Applied science and manufacturing, 2001-01, Vol.32A (3-4), p.591-594

2001

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Macrocycle–macrocycle interactions within one‐dimensional Cu phthalocyanine chains

Journal of porphyrins and phthalocyanines, 1999-03, Vol.3 (3), p.196-209

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

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

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

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

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

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

Convergence of the generalized simulated annealing method with independent parameters for the acceptance probability, visitation distribution, and temperature functions

Macrocycle–macrocycle interactions within one‐dimensional Cu phthalocyanine chains

Atomic basis sets optimization using the generalized simulated annealing approach: New basis sets for the first row elements

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

Multifractality, Levinthal paradox, and energy hypersurface

Hamiltonian Dynamics of the Landau Model of Ferroelectric Liquid Crystals. I

Atomistic study of interaction zone at copper–carbon interfaces

Simulations of decohesion and slip of the Sigma sub 3 (111) grain boundary in tungsten with non-empirically derived interatomic potentials: the influence of boron interstitials

Projector in constrained quantum dynamics

Relaxation of atoms in the tungsten capital sigma sub(3)(111) grain boundary with and without boron interstitials

Modeling of the sliding resistance of Sigma sub 3 < 111 > tungsten grain boundary: influence of boron additive

Macrocycle–macrocycle interactions within one‐dimensional Cu phthalocyanine chains

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