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List of works by György Lendvay

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

scientific article published on 23 February 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.

scientific article published in August 2005

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

scientific article published on 11 September 2017

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

scientific article published on 28 February 2007

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

scientific article published on 02 May 2012

Dimol Emission of Oxygen Made Possible by Repulsive Interaction

scientific article published on 5 July 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).

scientific article

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

scientific article published on 01 September 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

scientific article published on 01 August 2010

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

scientific article

Glutathione as a Prebiotic Answer to α-Peptide Based Life

scientific article published on 3 March 2015

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

scientific article

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

scientific article

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

scientific article published on 13 November 2019

Modeling the electron-impact dissociation of methane

scientific article published on 01 December 2012

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

scientific article published on 01 January 2016

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

scientific article

Preface

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

scientific article published in January 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.

scientific article published on 22 November 2007

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

scientific article published on 16 October 2008

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

scientific article published on 01 October 2015

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

scientific article published on 01 January 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

scientific article published on 01 June 2018

Substituent effect on the photoreduction kinetics of benzophenone.

scientific article

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

scientific article published on 26 February 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.

scientific article

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

scientific article published in August 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

scientific article published on 8 April 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

scientific article published on 01 December 2009

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