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List of works by Géza Fogarasi

A priori results for molecular geometry, scaled quantum mechanical (SQM) force field, and vibrational spectra of pyridazine

Anabinitiostudy of the structure and vibrational spectra of allyl and 1,4‐pentadienyl radicals

article

Benchmark studies on the building blocks of DNA. 2. Effect of biological environment on the electronic excitation spectrum of nucleobases

scientific article published on 22 August 2012

Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene

scientific article published in November 1983

High-Level Electron Correlation Calculations on Formamide and the Resonance Model

Quantum chemical MP2 results on some hydrates of cytosine: binding sites, energies and the first hydration shell

scientific article published on 21 October 2015

Quantum chemical calculation of force constants and vibrational spectra

scientific article published in March 1986

Quantum chemical coupled cluster study of the structure and spectra of the ground and first excited states of the ketenyl radical

Reinterpretation of the UV spectrum of cytosine: only two electronic transitions?

scientific article published on July 2009

Relative Stabilities of Three Low-Energy Tautomers of Cytosine: A Coupled Cluster Electron Correlation Study

Scaled quantum mechanical (SQM) force field and vibrational assignment for cyclohexane

scientific article published in 1985

Studies on tautomerism: Benchmark quantum chemical calculations on formamide and formamidine

scientific article published in August 2010

Tautomers of cytosine and their excited electronic states: a matrix isolation spectroscopic and quantum chemical study

scientific article published on 14 January 2011

The interaction between cytosine tautomers and water: an MP2 and coupled cluster electron correlation study

Theoretical equilibrium geometry, vibrational frequencies and the first electronic transition energy of HCC

article

Theoretical prediction of the electronic excited states and resonance Raman intensities in formamide from coupled cluster calculations

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