Lista de obras - Benjamin G Levine - Dominio Público Uruguay

A 4-coordinate Ru(II) imido: unusual geometry, synthesis, and reactivity

artículo científico publicado en 2013

A Conical Intersection Perspective on the Low Nonradiative Recombination Rate in Lead Halide Perovskites

artículo científico publicado en 2019

A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units.

artículo científico publicado en 2017

A discontinuous basis enables numerically exact solution of the Schrödinger equation around conical intersections in the adiabatic representation

artículo científico publicado en 2019

Ab Initio Molecular Dynamics of Excited-State Intramolecular Proton Transfer Using Multireference Perturbation Theory†

artículo científico publicado en 2007

Ab initio excited-state dynamics of the photoactive yellow protein chromophore

artículo científico publicado en 2003

Ab initio molecular dynamics and time-resolved photoelectron spectroscopy of electronically excited uracil and thymine

artículo científico publicado en 2007

Ab initio multiple spawning dynamics of excited butadiene: role of charge transfer

artículo científico publicado en 2009

Ab initio multiple spawning dynamics using multi-state second-order perturbation theory

artículo científico publicado en 2009

Accurate and efficient evaluation of transition probabilities at unavoided crossings in ab initio multiple spawning

artículo científico publicado en 2015

Communication: Determining the lowest-energy isomer of Au8: 2D, or not 2D

artículo científico publicado en 2013

Communication: Non-radiative recombination via conical intersection at a semiconductor defect

artículo científico publicado en 2013

Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors.

artículo científico publicado en 2017

Configuration interaction singles natural orbitals: an orbital basis for an efficient and size intensive multireference description of electronic excited states

artículo científico publicado en 2015

Conical Intersections at the Nanoscale: Molecular Ideas for Materials.

artículo científico publicado en 2019

Conical intersections and double excitations in time-dependent density functional theory

artículo científico publicado en 2006

Decoherence-corrected Ehrenfest molecular dynamics on many electronic states

scientific article published on 01 September 2020

Defect-Induced Conical Intersections Promote Nonradiative Recombination

artículo científico publicado en 2015

Do Excited Silicon–Oxygen Double Bonds Emit Light?

artículo científico publicado en 2014

Dynamics of recombination via conical intersection in a semiconductor nanocrystal.

artículo científico publicado en 2017

Electronic Coherence Mediated Quantum Control of Chemical Reactions in Polyatomic Molecules

artículo científico publicado en 2013

Electronic and Structural Comparisons between Iron(II/III) and Ruthenium(II/III) Imide Analogs

scientific article published on 12 August 2019

Evaluation of the Time-Derivative Coupling for Accurate Electronic State Transition Probabilities from Numerical Simulations

artículo científico publicado en 2014

Fast Analysis of Molecular Dynamics Trajectories with Graphics Processing Units-Radial Distribution Function Histogramming

artículo científico publicado en 2011

First Principles Dynamics of Photoexcited DNA and RNA Bases

artículo científico publicado en 2007

First-Principles Study of Nonradiative Recombination in Silicon Nanocrystals: The Role of Surface Silanol

artículo científico publicado en 2016

Floquet Time-Dependent Configuration Interaction for Modeling Ultrafast Electron Dynamics

artículo científico publicado en 2022

Functional studies and modeling of pore-lining residue mutants of the influenza a virus M2 ion channel

artículo científico publicado en 2010

H roaming chemistry and the formation of H from organic molecules in strong laser fields

artículo científico publicado en 2018

Impact of Stokes Shift on the Performance of Near-Infrared Harvesting Transparent Luminescent Solar Concentrators

artículo científico publicado en 2018

Implementation of ab initio multiple spawning in the Molpro quantum chemistry package

artículo científico publicado en 2008

Isomerization through conical intersections

artículo científico publicado en 2007

Large-Scale Electron Correlation Calculations: Rank-Reduced Full Configuration Interaction

artículo científico publicado en 2018

Light-Emitting Diodes: Phosphorescent Nanocluster Light-Emitting Diodes (Adv. Mater. 2/2016).

artículo científico publicado en 2016

Locality of conical intersections in semiconductor nanomaterials

artículo científico publicado en 2019

Magnesium-dependent RNA binding to the PA endonuclease domain of the avian influenza polymerase

artículo científico publicado en 2014

Mechanism and dynamics of azobenzene photoisomerization

artículo científico publicado en 2003

Mechanisms and time-resolved dynamics for trihydrogen cation (H3+) formation from organic molecules in strong laser fields

artículo científico publicado en 2017

Micellization Studied by GPU-Accelerated Coarse-Grained Molecular Dynamics

artículo científico publicado en 2011

Multiple Proton Confinement in the M2 Channel from the Influenza A Virus

artículo científico publicado en 2010

Nanoscale Multireference Quantum Chemistry: Full Configuration Interaction on Graphical Processing Units

artículo científico publicado en 2015

Near-Infrared Harvesting Transparent Luminescent Solar Concentrators

Nonadiabatic Quantum Molecular Dynamics in Dense Manifolds of Electronic States

artículo científico publicado en 2019

Nonradiative Recombination via Conical Intersections Arising at Defects on the Oxidized Silicon Surface

artículo científico publicado en 2015

On the extent and connectivity of conical intersection seams and the effects of three-state intersections

artículo científico publicado en 2008

Optimizing conical intersections without derivative coupling vectors: application to multistate multireference second-order perturbation theory (MS-CASPT2).

artículo científico publicado en 2007

Phosphorescent Nanocluster Light-Emitting Diodes

artículo científico publicado en 2015

Photochemistry from First Principles and Direct Dynamics

artículo científico publicado en 2005

Polaronic Relaxation by Three-Electron Bond Formation in Graphitic Carbon Nitrides

artículo científico publicado en 2014

Polyatomic molecules under intense femtosecond laser irradiation

artículo científico publicado en 2014

Premicelles and monomer exchange in aqueous surfactant solutions above and below the critical micelle concentration

artículo científico publicado en 2012

Quantum Energy Flow andtrans-Stilbene Photoisomerization: an Example of a Non-RRKM Reaction†

Reducing the propensity for unphysical wavefunction symmetry breaking in multireference calculations of the excited states of semiconductor clusters ⬇️

artículo científico publicado el 21 de agosto de 2013

Robust and Efficient Spin Purification for Determinantal Configuration Interaction.

artículo científico publicado en 2017

Self-assembly of coarse-grained ionic surfactants accelerated by graphics processing units

artículo científico publicado en 2012

Simulated evolution of fluorophores for light emitting diodes

artículo científico publicado en 2015

Simulating Electron Dynamics of Complex Molecules with Time-Dependent Complete Active Space Configuration Interaction

artículo científico publicado en 2018

Special issue on excited states in complex systems

artículo científico publicado en 2016

State-pairwise decoherence times for nonadiabatic dynamics on more than two electronic states

artículo científico publicado en 2020

Steric and electrostatic effects on photoisomerization dynamics using QM/MM ab initio multiple spawning

artículo científico publicado en 2014

Structure and mechanism of proton transport through the transmembrane tetrameric M2 protein bundle of the influenza A virus

artículo científico publicado en 2010

Substituent effects on H3+ formation via H2 roaming mechanisms from organic molecules under strong-field photodissociation

artículo científico publicado en 2018

Surface Structure and Silicon Nanocrystal Photoluminescence: The Role of Hypervalent Silyl Groups

artículo científico publicado en 2015

Surfactant concentration effects on micellar properties

artículo científico publicado en 2012

The best of both Reps-Diabatized Gaussians on adiabatic surfaces

artículo científico publicado en 2016

Time-resolved signatures across the intramolecular response in substituted cyanine dyes

artículo científico publicado en 2017

Understanding Nonradiative Recombination through Defect-Induced Conical Intersections.

artículo científico publicado en 2017

Wave function continuity and the diagonal Born-Oppenheimer correction at conical intersections

artículo científico publicado en 2016

Lista de obras de Benjamin G Levine

A 4-coordinate Ru(II) imido: unusual geometry, synthesis, and reactivity

A Conical Intersection Perspective on the Low Nonradiative Recombination Rate in Lead Halide Perovskites

A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units.

A discontinuous basis enables numerically exact solution of the Schrödinger equation around conical intersections in the adiabatic representation

Ab Initio Molecular Dynamics of Excited-State Intramolecular Proton Transfer Using Multireference Perturbation Theory†

Ab initio excited-state dynamics of the photoactive yellow protein chromophore

Ab initio molecular dynamics and time-resolved photoelectron spectroscopy of electronically excited uracil and thymine

Ab initio multiple spawning dynamics of excited butadiene: role of charge transfer

Ab initio multiple spawning dynamics using multi-state second-order perturbation theory

Accurate and efficient evaluation of transition probabilities at unavoided crossings in ab initio multiple spawning

Communication: Determining the lowest-energy isomer of Au8: 2D, or not 2D

Communication: Non-radiative recombination via conical intersection at a semiconductor defect

Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors.

Configuration interaction singles natural orbitals: an orbital basis for an efficient and size intensive multireference description of electronic excited states

Conical Intersections at the Nanoscale: Molecular Ideas for Materials.

Conical intersections and double excitations in time-dependent density functional theory

Decoherence-corrected Ehrenfest molecular dynamics on many electronic states

Defect-Induced Conical Intersections Promote Nonradiative Recombination

Do Excited Silicon–Oxygen Double Bonds Emit Light?

Dynamics of recombination via conical intersection in a semiconductor nanocrystal.

Electronic Coherence Mediated Quantum Control of Chemical Reactions in Polyatomic Molecules

Electronic and Structural Comparisons between Iron(II/III) and Ruthenium(II/III) Imide Analogs

Evaluation of the Time-Derivative Coupling for Accurate Electronic State Transition Probabilities from Numerical Simulations

Fast Analysis of Molecular Dynamics Trajectories with Graphics Processing Units-Radial Distribution Function Histogramming

First Principles Dynamics of Photoexcited DNA and RNA Bases

First-Principles Study of Nonradiative Recombination in Silicon Nanocrystals: The Role of Surface Silanol

Floquet Time-Dependent Configuration Interaction for Modeling Ultrafast Electron Dynamics

Functional studies and modeling of pore-lining residue mutants of the influenza a virus M2 ion channel

H roaming chemistry and the formation of H from organic molecules in strong laser fields

Impact of Stokes Shift on the Performance of Near-Infrared Harvesting Transparent Luminescent Solar Concentrators

Implementation of ab initio multiple spawning in the Molpro quantum chemistry package

Isomerization through conical intersections

Large-Scale Electron Correlation Calculations: Rank-Reduced Full Configuration Interaction

Light-Emitting Diodes: Phosphorescent Nanocluster Light-Emitting Diodes (Adv. Mater. 2/2016).

Locality of conical intersections in semiconductor nanomaterials

Magnesium-dependent RNA binding to the PA endonuclease domain of the avian influenza polymerase

Mechanism and dynamics of azobenzene photoisomerization

Mechanisms and time-resolved dynamics for trihydrogen cation (H3+) formation from organic molecules in strong laser fields

Micellization Studied by GPU-Accelerated Coarse-Grained Molecular Dynamics

Multiple Proton Confinement in the M2 Channel from the Influenza A Virus

Nanoscale Multireference Quantum Chemistry: Full Configuration Interaction on Graphical Processing Units

Near-Infrared Harvesting Transparent Luminescent Solar Concentrators

Nonadiabatic Quantum Molecular Dynamics in Dense Manifolds of Electronic States

Nonradiative Recombination via Conical Intersections Arising at Defects on the Oxidized Silicon Surface

On the extent and connectivity of conical intersection seams and the effects of three-state intersections

Optimizing conical intersections without derivative coupling vectors: application to multistate multireference second-order perturbation theory (MS-CASPT2).

Phosphorescent Nanocluster Light-Emitting Diodes

Photochemistry from First Principles and Direct Dynamics

Polaronic Relaxation by Three-Electron Bond Formation in Graphitic Carbon Nitrides

Polyatomic molecules under intense femtosecond laser irradiation

Premicelles and monomer exchange in aqueous surfactant solutions above and below the critical micelle concentration

Quantum Energy Flow andtrans-Stilbene Photoisomerization: an Example of a Non-RRKM Reaction†

Reducing the propensity for unphysical wavefunction symmetry breaking in multireference calculations of the excited states of semiconductor clusters ⬇️

Robust and Efficient Spin Purification for Determinantal Configuration Interaction.

Self-assembly of coarse-grained ionic surfactants accelerated by graphics processing units

Simulated evolution of fluorophores for light emitting diodes

Simulating Electron Dynamics of Complex Molecules with Time-Dependent Complete Active Space Configuration Interaction

Special issue on excited states in complex systems

State-pairwise decoherence times for nonadiabatic dynamics on more than two electronic states

Steric and electrostatic effects on photoisomerization dynamics using QM/MM ab initio multiple spawning

Structure and mechanism of proton transport through the transmembrane tetrameric M2 protein bundle of the influenza A virus

Substituent effects on H3+ formation via H2 roaming mechanisms from organic molecules under strong-field photodissociation

Surface Structure and Silicon Nanocrystal Photoluminescence: The Role of Hypervalent Silyl Groups

Surfactant concentration effects on micellar properties

The best of both Reps-Diabatized Gaussians on adiabatic surfaces

Time-resolved signatures across the intramolecular response in substituted cyanine dyes

Understanding Nonradiative Recombination through Defect-Induced Conical Intersections.

Wave function continuity and the diagonal Born-Oppenheimer correction at conical intersections