A Density Functional Theory Investigation on Intramolecular Hydrogen Transfer of the [Os 3 (CO) 11 P(OMe) 3 (Ru(η 5 -C 5 H 5 )) 2 ] Cluster
Buntem, Radchada, Punyain, Kraiwan, Tantirungrotechai, Yuthana, Raithby, Paul R., Lewis, Jack
Published in Bulletin of the Korean Chemical Society (20.04.2010)
Published in Bulletin of the Korean Chemical Society (20.04.2010)
Get full text
Journal Article
A Density Functional Theory Investigation on Intramolecular Hydrogen Transfer of the [Os 3 (CO) 11 P(OMe) 3 (Ru(η 5 -C 5 H 5 )) 2 ] Cluster
Buntem, Radchada, Punyain, Kraiwan, Tantirungrotechai, Yuthana, Raithby, Paul R, Lewis, Jack
Published in Bulletin of the Korean Chemical Society (2010)
Get full text
Published in Bulletin of the Korean Chemical Society (2010)
Journal Article
Substitution effect on the intermolecular halogen and hydrogen bonds of the σ-bonded fluorinated pyridine···XY/HX complexes (XY = F2, Cl2, ClF; HX = HF, HCl)
Sladek, Vladimir, Punyain, Kraiwan, Ilčin, Michal, Lukeš, Vladimír
Published in International journal of quantum chemistry (05.07.2014)
Published in International journal of quantum chemistry (05.07.2014)
Get full text
Journal Article
Substitution effect on the intermolecular halogen and hydrogen bonds of the [sigma]-bonded fluorinated pyridine···XY/HX complexes (XY=F2, Cl2, ClF; HX=HF, HCl)
Sladek, Vladimir, Punyain, Kraiwan, Ilcin, Michal, Lukes, Vladimír
Published in International journal of quantum chemistry (05.07.2014)
Published in International journal of quantum chemistry (05.07.2014)
Get full text
Journal Article
Cyclic Voltammetric Study of Heterogeneous Electron Transfer Rate Constants of Various Organic Compounds in Ionic liquids: Measurements at Room Temperature
Siraj, Noureen, Grampp, Günter, Landgraf, Stephan, Punyain, Kraiwan
Published in Zeitschrift für physikalische Chemie (Neue Folge) (01.01.2013)
Published in Zeitschrift für physikalische Chemie (Neue Folge) (01.01.2013)
Get full text
Journal Article
On the applicability of the molecular dynamics SCC-DFTB treatment on optical spectra simulations for thiophene and phenyl containing oligomers
Lukeš, Vladimír, Rimarčík, Ján, Rottmannová, Lenka, Punyain, Kraiwan, Klein, Erik, Kelterer, Anne-Marie
Published in Computational and theoretical chemistry (01.11.2012)
Published in Computational and theoretical chemistry (01.11.2012)
Get full text
Journal Article
Theoretical and spectroscopic study of ethyl 1,4-dihydro-4-oxoquinoline-3-carboxylate and its 6-fluoro and 8-nitro derivatives in neutral and radical anion forms
Rimarčík, Ján, Punyain, Kraiwan, Lukeš, Vladimír, Klein, Erik, Dvoranová, Dana, Kelterer, Anne-Marie, Milata, Viktor, Lietava, Jozef, Brezová, Vlasta
Published in Journal of molecular structure (17.05.2011)
Published in Journal of molecular structure (17.05.2011)
Get full text
Journal Article
Theoretical study of 2-phenylpyrrole molecule using various quantum-chemical approaches
Rottmannová, Lenka, Punyain, Kraiwan, Rimarčík, Ján, Lukeš, Vladimír, Klein, Erik, Kelterer, Anne-Marie
Published in Acta Chimica Slovaca (01.04.2012)
Published in Acta Chimica Slovaca (01.04.2012)
Get full text
Journal Article
A DFT investigation of methanolysis and hydrolysis of triacetin
Limpanuparb, Taweetham, Punyain, Kraiwan, Tantirungrotechai, Yuthana
Published in Journal of molecular structure. Theochem (01.09.2010)
Published in Journal of molecular structure. Theochem (01.09.2010)
Get full text
Journal Article
A DFT investigation of methanolysis and hydrolysis of triacetin
Limpanuparb, Taweetham, Punyain, Kraiwan, Tantirungrotechai, Yuthana
Published in arXiv.org (22.12.2012)
Published in arXiv.org (22.12.2012)
Get full text
Paper
Journal Article
Assessment of mixed basis set and ONIOM methods on the activation energy of ring opening reactions of substituted cyclobutenes
Tantirungrotechai, Yuthana, Roddecha, Supacharee, Punyain, Kraiwan, Toochinda, Pisanu
Published in Journal of molecular structure. Theochem (15.01.2009)
Published in Journal of molecular structure. Theochem (15.01.2009)
Get full text
Journal Article