Lista de obras - György Lendvay - Dominio Público Uruguay

A Quasiclassical Trajectory Study of the Reaction of H Atoms with O2((1)Δg).

artículo científico publicado en 2015

A general formulation of the quasiclassical trajectory method for reduced-dimensionality reaction dynamics calculations

scientific article published on 01 May 2018

A reinterpretation of the mechanism of the simplest reaction at an sp3-hybridized carbon atom: H + CD4 --> CD3 + HD.

artículo científico publicado en 2005

Adiabatic Switching Extended To Prepare Semiclassically Quantized Rotational-Vibrational Initial States for Quasiclassical Trajectory Calculations

artículo científico publicado en 2017

Air-stable, heme-like water-soluble iron(II) porphyrin: in situ preparation and characterization

artículo científico publicado en 2007

Bimolecular reactions of vibrationally excited molecules. Roaming atom mechanism at low kinetic energies

artículo científico publicado en 2012

Dimol Emission of Oxygen Made Possible by Repulsive Interaction

artículo científico publicado en 2017

Dynamics of Complex-Forming Bimolecular Reactions: A Comparative Theoretical Study of the Reactions of H Atoms with O2((3)Σg(-)) and O2((1)Δg).

artículo científico publicado en 2015

Dynamics of bimolecular reactions of vibrationally highly excited molecules: quasiclassical trajectory studies

artículo científico publicado en 2005

Effects of reactant rotational excitation on H + O2→ OH + O reaction rate constant: quantum wave packet, quasi-classical trajectory and phase space theory calculations

scientific article published on 03 March 2009

Energetics of fragmentation for cationized poly(ethylene glycol) oligomers

artículo científico publicado en 2010

Equilibrium, photophysical, photochemical, and quantum chemical examination of anionic mercury(II) mono- and bisporphyrins

artículo científico publicado en 2008

Glutathione as a Prebiotic Answer to α-Peptide Based Life

artículo científico publicado en 2015

H + CD4 abstraction reaction dynamics: excitation function and angular distributions.

artículo científico publicado en 2006

H + CD4 abstraction reaction dynamics: product energy partitioning

scientific article published on 01 March 2006

Kinetics and mechanism of the reactions of CH3CO and CH3C(O)CH2 radicals with O2. Low-pressure discharge flow experiments and quantum chemical computations

artículo científico publicado en 2007

Mechanism Change in the Dynamics of the O' + O2 → O'O + O Atom Exchange Reaction at High Collision Energies

artículo científico publicado en 2019

Modeling the electron-impact dissociation of methane

artículo científico publicado en 2012

Oscillatory reaction cross sections caused by normal mode sampling in quasiclassical trajectory calculations

artículo científico publicado en 2016

Photocatalytic degradation of 1,5-naphthalenedisulfonate on colloidal titanium dioxide.

artículo científico publicado en 2008

Preface

Proton mobility in protonated glycylglycine and N-formylglycylglycinamide: a combined quantum chemical and RKKM study.

artículo científico publicado en 2001

Proton mobility in protonated peptides: a joint molecular orbital and RRKM study

scientific article published on 01 January 2000

Solvent dependence of absorption and emission spectra of Ru(bpy)2(CN)2: experiment and explanation based on electronic structure theory.

artículo científico publicado en 2007

State-to-State Dynamics of H + O2Reaction, Evidence for Nonstatistical Behavior

artículo científico publicado en 2008

Stereoselective coordination: a six-membered P,N-chelate tailored for asymmetric allylic alkylation

artículo científico publicado en 2015

Structure and Energetics of Poly(Ethylene Glycol) Cationized by Li+, Na+, K+ and Cs+: A First-Principles Study

artículo científico publicado en 2011

Structure and bonding in binuclear metal carbonyls from the analysis of domain averaged Fermi holes. I. Fe2(CO)9 and Co2(CO)8

scientific article published on 01 July 2008

Substituent effect on the dynamics of the inclusion complex formation between protoberberine alkaloids and cucurbit[7]uril

artículo científico publicado en 2018

Substituent effect on the photoreduction kinetics of benzophenone.

artículo científico publicado en 2013

Testing the Palma-Clary Reduced Dimensionality Model Using Classical Mechanics on the CH4 + H → CH3 + H2 Reaction.

artículo científico publicado en 2016

The effect of the position of methyl substituents on photophysical and photochemical properties of [Ru(x,x'-dmb)(CN)4]2- complexes: experimental confirmation of the theoretical predictions.

artículo científico publicado en 2011

The non-statistical dynamics of the ¹⁸O + ³²O₂ isotope exchange reaction at two energies

artículo científico publicado en 2014

Theoretical study of the reaction of H atoms with vibrationally highly excited HF molecules

scientific article published on 01 March 2006

Thermal Decomposition of NCN: Shock-Tube Study, Quantum Chemical Calculations, and Master-Equation Modeling

artículo científico publicado en 2015

Trajectory surface hopping study of the O(3P) + ethylene reaction dynamics

scientific article published on 19 December 2007

Trajectory surface-hopping study of methane photodissociation dynamics

artículo científico publicado en 2009

Lista de obras de György Lendvay

A Quasiclassical Trajectory Study of the Reaction of H Atoms with O2((1)Δg).

A general formulation of the quasiclassical trajectory method for reduced-dimensionality reaction dynamics calculations

A reinterpretation of the mechanism of the simplest reaction at an sp3-hybridized carbon atom: H + CD4 --> CD3 + HD.

Adiabatic Switching Extended To Prepare Semiclassically Quantized Rotational-Vibrational Initial States for Quasiclassical Trajectory Calculations

Air-stable, heme-like water-soluble iron(II) porphyrin: in situ preparation and characterization

Bimolecular reactions of vibrationally excited molecules. Roaming atom mechanism at low kinetic energies

Dimol Emission of Oxygen Made Possible by Repulsive Interaction

Dynamics of Complex-Forming Bimolecular Reactions: A Comparative Theoretical Study of the Reactions of H Atoms with O2((3)Σg(-)) and O2((1)Δg).

Dynamics of bimolecular reactions of vibrationally highly excited molecules: quasiclassical trajectory studies

Effects of reactant rotational excitation on H + O2→ OH + O reaction rate constant: quantum wave packet, quasi-classical trajectory and phase space theory calculations

Energetics of fragmentation for cationized poly(ethylene glycol) oligomers

Equilibrium, photophysical, photochemical, and quantum chemical examination of anionic mercury(II) mono- and bisporphyrins

Glutathione as a Prebiotic Answer to α-Peptide Based Life

H + CD4 abstraction reaction dynamics: excitation function and angular distributions.

H + CD4 abstraction reaction dynamics: product energy partitioning

Kinetics and mechanism of the reactions of CH3CO and CH3C(O)CH2 radicals with O2. Low-pressure discharge flow experiments and quantum chemical computations

Mechanism Change in the Dynamics of the O' + O2 → O'O + O Atom Exchange Reaction at High Collision Energies

Modeling the electron-impact dissociation of methane

Oscillatory reaction cross sections caused by normal mode sampling in quasiclassical trajectory calculations

Photocatalytic degradation of 1,5-naphthalenedisulfonate on colloidal titanium dioxide.

Preface

Proton mobility in protonated glycylglycine and N-formylglycylglycinamide: a combined quantum chemical and RKKM study.

Proton mobility in protonated peptides: a joint molecular orbital and RRKM study

Solvent dependence of absorption and emission spectra of Ru(bpy)2(CN)2: experiment and explanation based on electronic structure theory.

State-to-State Dynamics of H + O2Reaction, Evidence for Nonstatistical Behavior

Stereoselective coordination: a six-membered P,N-chelate tailored for asymmetric allylic alkylation

Structure and Energetics of Poly(Ethylene Glycol) Cationized by Li+, Na+, K+ and Cs+: A First-Principles Study

Structure and bonding in binuclear metal carbonyls from the analysis of domain averaged Fermi holes. I. Fe2(CO)9 and Co2(CO)8

Substituent effect on the dynamics of the inclusion complex formation between protoberberine alkaloids and cucurbit[7]uril

Substituent effect on the photoreduction kinetics of benzophenone.

Testing the Palma-Clary Reduced Dimensionality Model Using Classical Mechanics on the CH4 + H → CH3 + H2 Reaction.

The effect of the position of methyl substituents on photophysical and photochemical properties of [Ru(x,x'-dmb)(CN)4]2- complexes: experimental confirmation of the theoretical predictions.

The non-statistical dynamics of the ¹⁸O + ³²O₂ isotope exchange reaction at two energies

Theoretical study of the reaction of H atoms with vibrationally highly excited HF molecules

Thermal Decomposition of NCN: Shock-Tube Study, Quantum Chemical Calculations, and Master-Equation Modeling

Trajectory surface hopping study of the O(3P) + ethylene reaction dynamics

Trajectory surface-hopping study of methane photodissociation dynamics