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List of works by Zoltán Varga

A quasiclassical trajectory study of the N2(X1Σ) + O(3P) → NO(X2Π) + N(4S) reaction

scientific article published on 01 June 2016

An improved potential energy surface and multi-temperature quasiclassical trajectory calculations of N2 + N2 dissociation reactions

scientific article

Assessment of electronic structure methods for the determination of the ground spin states of Fe(ii), Fe(iii) and Fe(iv) complexes.

scientific article published on 9 May 2017

B2N2O4: Prediction of a Magnetic Ground State for a Light Main-Group Molecule

scientific article published on 14 August 2015

Conservation of Angular Momentum in Direct Nonadiabatic Dynamics

scientific article published on 28 January 2020

Curious matrix effects: a computational, electron diffraction, and vibrational spectroscopic study of dysprosium triiodide

scientific article published in June 2010

Direct diabatization based on nonadiabatic couplings: the N/D method

Does the 4f electron configuration affect molecular geometries? A joint computational, vibrational spectroscopic, and electron diffraction study of dysprosium tribromide

scientific article published on 01 May 2009

Dynamics of vibrational energy excitation and dissociation in oxygen from direct molecular simulation

article

Erratum: “Global ab initio ground-state potential energy surface of N4” [J. Chem. Phys. 139, 044309 (2013)]

scholarly article published in Journal of Chemical Physics

Gas-phase structures of iron trihalides: a computational study of all iron trihalides and an electron diffraction study of iron trichloride

scientific article published on 01 February 2010

Global ab initio ground-state potential energy surface of N4.

scientific article

Global triplet potential energy surfaces for the N2(X1Σ) + O(3P) → NO(X2Π) + N(4S) reaction

scientific article published on 01 January 2016

Hyper Open-Shell Excited Spin States of Transition-Metal Compounds: FeF2, FeF2···Ethane, and FeF2···Ethylene

scientific article

Hyper Open-Shell States: The Lowest Excited Spin States of O Atom, Fe2+ Ion, and FeF2.

scientific article published on 15 August 2017

Is the Inversion of Phosphorus Trihalides (PF3, PCl3, PBr3, and PI3) a Diradical Process?

scientific article published on 24 December 2018

Many-Body Permutationally-Invariant-Polynomial Neural-Network Potential Energy Surface for N4

scientific article published on 01 July 2020

Molecular constants of aluminum monohalides: caveats for computations of simple inorganic molecules

scientific article published on 01 January 2007

Molecular geometry of vanadium dichloride and vanadium trichloride: a gas-phase electron diffraction and computational study

scientific article published on 01 March 2010

Molecular structure and vibrational spectra of mixed MDyX4 (M = Li, Na, K, Rb, Cs; X = F, Cl, Br, I) vapor complexes: a computational and matrix-isolation infrared spectroscopic study

scientific article published on 02 December 2011

Multi-state pair-density functional theory

scientific article published on 17 September 2020

On the effect of 4f electrons on the structural characteristics of lanthanide trihalides: computational and electron diffraction study of dysprosium trichloride

scientific article published in February 2008

Permutationally Restrained Diabatization by Machine Intelligence

scientific article published on 06 January 2021

Potential energy surface of triplet N2O2.

scientific article

Potential energy surface of triplet O4

Potential energy surfaces for O + O2 collisions

scientific article

Potential energy surfaces of quintet and singlet O4.

scientific article

Quasilinear molecule par excellence, SrCl2: structure from high-temperature gas-phase electron diffraction and quantum-chemical calculations--computed structures of SrCl2.argon complexes

scientific article published in November 2006

Singlet–triplet competition in the low-lying energy states of C4O4−n S n (n = 1–3) molecules

article

Structure and other molecular properties of actinide trichlorides AnCl3 (An = Th-Cm)

scientific article published on 25 October 2013

The elusive structure of CrCl(2): a combined computational and gas-phase electron-diffraction study

scientific article published on 01 January 2008

Theoretical study of the structure and bonding in ThC2 and UC2.

scientific article

Water Catalysis of the Reaction of Methanol with OH Radical in the Atmosphere is Negligible

scientific article published on 26 February 2020

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