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Communication: Universal Markovian reduction of Brownian particle dynamics

The Journal of chemical physics, 2011-01, Vol.134 (1), p.011101-011101-4

2011

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Bending the rules of PAH hydrogenation: the case of corannulene

Monthly notices of the Royal Astronomical Society, 2023-01, Vol.519 (4), p.5567-5578

2023

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Spin coupling around a carbon atom vacancy in graphene

Physical review. B, Condensed matter and materials physics, 2013-11, Vol.88 (19), Article 195424

2013

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Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. I. Theory

The Journal of chemical physics, 2022-05, Vol.156 (19), p.194106-194106

2022

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Band Engineering in Graphene with Superlattices of Substitutional Defects

Journal of physical chemistry. C, 2011-03, Vol.115 (8), p.3250-3256

2011

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Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. II. Benchmarks and applications

The Journal of chemical physics, 2022-05, Vol.156 (19), p.194107-194107

2022

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Hydrogen Recombination and Dimer Formation on Graphite from Ab Initio Molecular Dynamics Simulations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-07, Vol.120 (27), p.5032-5040

2016

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Unraveling a Brownian particle's memory with effective mode chains

Physical review. E, Statistical, nonlinear, and soft matter physics, 2011-09, Vol.84 (3 Pt 1), p.030102-030102, Article 030102

2011

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A few simple rules governing hydrogenation of graphene dots

The Journal of chemical physics, 2011-10, Vol.135 (16), p.164701-164701-10

2011

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Benchmark calculations for dissipative dynamics of a system coupled to an anharmonic bath with the multiconfiguration time-dependent Hartree method

The Journal of chemical physics, 2011-03, Vol.134 (9), p.094102-094102-7

2011

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Compact MCTDH Wave Functions for High-Dimensional System-Bath Quantum Dynamics

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-11, Vol.116 (46), p.11406-11413

2012

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The gas-phase lithium chemistry in the early universe: elementary processes, interaction forces and quantum dynamics

Physics reports, 2003-09, Vol.384 (3), p.85-119

2003

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Accurate potential energy surfaces for the study of lithium–hydrogen ionic reactions

The Journal of chemical physics, 2003-12, Vol.119 (21), p.11241-11248

2003

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Kinetic model for the ammoxidation of ethanol to acetonitrile

Chemical engineering science, 2019-11, Vol.207, p.862-875

2019

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A modified Variable-Phase algorithm for multichannel scattering with long-range potentials

Computer physics communications, 2003-03, Vol.151 (2), p.187-198

2003

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Hot-atom versus Eley-Rideal dynamics in hydrogen recombination on Ni(100). I. The single-adsorbate case

The Journal of chemical physics, 2004-05, Vol.120 (18), p.8761-8771

2004

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Potential energy surface, bound states, and rotational inelastic cross sections of the He-CH4 system: a theoretical investigation

The Journal of chemical physics, 2004-11, Vol.121 (17), p.8261-8270

2004

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Selected rock powders as sources of nutrients for soil fertilization and maize-wheat grain production in southern Brazil

The Journal of agricultural science, 2023-12, Vol.161 (5), p.654-668

2023

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Three-dimensional reactive surfaces for the LiH2+ system: an analysis of accurate ab initio results

Chemical physics, 2003-02, Vol.287 (3), p.335-348

2003

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Reactive Behavior of the [LiH2]+ System II. Collision-Induced Dissociation and Collinear Reaction Dynamics of LiH++H from Quantum Time Dependent Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-12, Vol.105 (49), p.10994-11000

2001

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Reactive Behavior of the [LiH2]+ System I. Evaluation of the Lower-lying Electronic Potentials for the Collinear Geometries

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-12, Vol.105 (49), p.10986-10993

2001

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Quantum study of Eley-Rideal reaction and collision induced desorption of hydrogen atoms on a graphite surface. I. H-chemisorbed case

The Journal of chemical physics, 2006-03, Vol.124 (12), p.124702-124702-14

2006

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Evaluation of polar phenolic compounds in water samples close to shale exploitation area: a case study

International journal of environmental science and technology (Tehran), 2021-08, Vol.18 (8), p.2459-2466

2021

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Quantum study of Eley-Rideal reaction and collision induced desorption of hydrogen atoms on a graphite surface. II. H-physisorbed case

The Journal of chemical physics, 2006-03, Vol.124 (12), p.124703-124703

2006

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Spatial Energetics of Protonated LiH: Lower-Lying Potential Energy Surfaces from Valence Bond Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-12, Vol.104 (51), p.11972-11982

2000

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Communication: Universal Markovian reduction of Brownian particle dynamics

Bending the rules of PAH hydrogenation: the case of corannulene

Spin coupling around a carbon atom vacancy in graphene

Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. I. Theory

Band Engineering in Graphene with Superlattices of Substitutional Defects

Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. II. Benchmarks and applications

Hydrogen Recombination and Dimer Formation on Graphite from Ab Initio Molecular Dynamics Simulations

Unraveling a Brownian particle's memory with effective mode chains

A few simple rules governing hydrogenation of graphene dots

Benchmark calculations for dissipative dynamics of a system coupled to an anharmonic bath with the multiconfiguration time-dependent Hartree method

Compact MCTDH Wave Functions for High-Dimensional System-Bath Quantum Dynamics

The gas-phase lithium chemistry in the early universe: elementary processes, interaction forces and quantum dynamics

Accurate potential energy surfaces for the study of lithium–hydrogen ionic reactions

Kinetic model for the ammoxidation of ethanol to acetonitrile

A modified Variable-Phase algorithm for multichannel scattering with long-range potentials

Hot-atom versus Eley-Rideal dynamics in hydrogen recombination on Ni(100). I. The single-adsorbate case

Potential energy surface, bound states, and rotational inelastic cross sections of the He-CH4 system: a theoretical investigation

Selected rock powders as sources of nutrients for soil fertilization and maize-wheat grain production in southern Brazil

Three-dimensional reactive surfaces for the LiH2+ system: an analysis of accurate ab initio results

Reactive Behavior of the [LiH2]+ System II. Collision-Induced Dissociation and Collinear Reaction Dynamics of LiH++H from Quantum Time Dependent Calculations

Reactive Behavior of the [LiH2]+ System I. Evaluation of the Lower-lying Electronic Potentials for the Collinear Geometries

Quantum study of Eley-Rideal reaction and collision induced desorption of hydrogen atoms on a graphite surface. I. H-chemisorbed case

Evaluation of polar phenolic compounds in water samples close to shale exploitation area: a case study

Quantum study of Eley-Rideal reaction and collision induced desorption of hydrogen atoms on a graphite surface. II. H-physisorbed case

Spatial Energetics of Protonated LiH: Lower-Lying Potential Energy Surfaces from Valence Bond Calculations

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