Publications by authors named "Gyula Tasi"

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Comment on "Causation or only correlation? Application of causal inference graphs for evaluating causality in nano-QSAR models" by N. Sizochenko, A. Gajewicz, J. Leszczynski and T. Puzyn, Nanoscale, 2016, 8, 7203.
Domonkos Attila Tasi, József Csontos, Balázs Nagy, Zoltán Kónya, Gyula Tasi

Nanoscale· November 2018

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Definitive thermochemistry and kinetics of the interconversions among conformers of n-butane and n-pentane.
Roland Tóbiás, Attila G Császár, László Gyevi-Nagy, Gyula Tasi

J Comput Chem· March 2018

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Enthalpy Differences of the n-Pentane Conformers.
József Csontos, Balázs Nagy, László Gyevi-Nagy, Mihály Kállay, Gyula Tasi

J Chem Theory Comput· June 2016

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Benchmarking Experimental and Computational Thermochemical Data: A Case Study of the Butane Conformers.
Dóra Barna, Balázs Nagy, József Csontos, Attila G Császár, Gyula Tasi

J Chem Theory Comput· February 2012

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High-accuracy theoretical thermochemistry of atmospherically important sulfur-containing molecules.
Balázs Nagy, Péter Szakács, József Csontos, Zoltán Rolik, Gyula Tasi

J Phys Chem A· July 2011

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High-accuracy theoretical study on the thermochemistry of several formaldehyde derivatives.
Balázs Nagy, József Csontos, Mihály Kállay, Gyula Tasi

J Phys Chem A· December 2010

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Comment on "Enthalpy difference between conformations of normal alkanes: Raman spectroscopy study of n-pentane and n-butane".
Gyula Tasi, Balázs Nagy

J Phys Chem A· June 2010

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Adiabatic Jacobi corrections on the vibrational energy levels of H2(+) isotopologues.
Csaba Fábri, Gábor Czakó, Gyula Tasi, Attila G Császár

J Chem Phys· April 2009

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The effect of electron correlation on the conformational space of melatonin.
József Csontos, Péter Kálmán, Gyula Tasi, Miklós Kálmán, Richard F Murphy

J Comput Chem· July 2008

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The origin of systematic error in the standard enthalpies of formation of hydrocarbons computed via atomization schemes.
Gyula Tasi, Róbert Izsák, Gergely Matisz, Attila G Császár, Mihály Kállay

Chemphyschem· August 2006

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Semispectroscopic and quantitative structure-property relationship estimates of the equilibrium and vibrationally averaged structure and dipole moment of 1-buten-3-yne.
Gyula Tasi, Milan Szöri, Attila G Csaszar

J Phys Chem A· June 2005

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1,5-Hydride shift in Wolff-Kishner reduction of (20R)-3beta,20, 26-trihydroxy-27-norcholest-5-en-22-one: synthetic, quantum chemical, and NMR studies.
Zsuzsanna Szendi, Péter Forgó, Gyula Tasi, Zsolt Böcskei, Levente Nyerges

Steroids· January 2002

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Generation, Characterization, and Transformations of Unsaturated Carbenium Ions in Zeolites.
Imre Kiricsi, Horst Förster, Gyula Tasi, Janos B. Nagy

Chem Rev· August 1999

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