Items where Author is "Tasi, Gyula"

Article

Csontos, József and Nagy, Balázs and Gyevi-Nagy, László and Kállay, Mihály and Tasi, Gyula (2016) Enthalpy Differences of the n‐Pentane Conformers. Journal of Chemical Theory and Computation (12). p. 2679. ISSN 1549-9618

Csontos, József and Nagy, Balázs and Gyevi-Nagy, László and Kállay, Mihály and Tasi, Gyula (2016) Enthalpy Differences of the n-Pentane Conformers. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 12 (6). pp. 2679-2688. ISSN 1549-9618

Tóbiás, Roland and Gyevi-Nagy, László and Tasi, Gyula (2014) A monomolekuláris reakcióhálózatok általános formálkinetikai modellezése. MAGYAR KÉMIAI FOLYÓIRAT - KÉMIAI KÖZLEMÉNYEK, 120 (2-3). pp. 102-105. ISSN 1418-9933

Tasi, Gyula and Pálinkó, István and Molnár, Árpád and Hannus, István (2003) Molecular shape, dimensions, and shape selective catalysis. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 666-67. pp. 69-77. ISSN 0166-1280

Tasi, Gyula and Mizukami, F. and Pálinkó, István and Kukovecz, Ákos (2001) Positional isomerization of dialkylnaphthalenes: A comprehensive interpretation of the selective formation of 2,6-DIPN over HM zeolite. JOURNAL OF PHYSICAL CHEMISTRY A, 105 (26). pp. 6513-6518. ISSN 1089-5639

Tasi, Gyula and Pálinkó, István and Mizukami, F. (2001) Shape-selective alkylation of isopropylnaphthalene over HM zeolite. A theoretical study. REACTION KINETICS AND CATALYSIS LETTERS, 74 (2). pp. 317-322. ISSN 0133-1736

Tasi, Gyula and Mizukami, F. and Toba, M. and Niwa, S-I. and Pálinkó, István (2000) Molecular electrostatics, energetics and dynamics of the alkylation of naphthalane: Positional isomerization of monoalkylnaphthalenes at Hartree-Fock and correlated levels with BSSE-corrections. JOURNAL OF PHYSICAL CHEMISTRY A, 104 (6). pp. 1337-1345. ISSN 1089-5639

Tasi, Gyula and Mizukami, F. and Csontos, József and Győrffy, W. and Pálinkó, István (2000) Quantum algebraic–combinatoric study of the conformational properties of n-alkanes. II. JOURNAL OF MATHEMATICAL CHEMISTRY, 27 (3). pp. 191-199. ISSN 0259-9791

Tasi, Gyula and Mizukami, F. and Pálinkó, István (1997) Ab initio kvantumkémiai számítások alifás szénhidrogén-molekulákra, I. MAGYAR KÉMIAI FOLYÓIRAT, 103 (8). pp. 373-380. ISSN 0025-0155

Tasi, Gyula and Mizukami, F. and Pálinkó, István (1997) Analysis of permanent electric dipole moments of aliphatic hydrocarbon molecules. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 401 (1-2). pp. 21-27. ISSN 0166-1280

Tasi, Gyula and Pálinkó, István and Körtvélyesi, Tamás (1997) Structure and isomerization of alpha-phenylcinnamic acid stereoisomers - reaction pathway and transition-state structure by semiempirical methods. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 391 (1-2). pp. 189-192. ISSN 0166-1280

Tasi, Gyula and Mizukami, F. and Pálinkó, István (1997) A new program for effective one-electron (EHMO - ASED) calculations. COMPUTERS AND CHEMISTRY, 21 (5). pp. 319-325. ISSN 0097-8485

Pálinkó, István and Török, B. and Rózsa-Tarjányi, M. and Kiss T., János and Tasi, Gyula (1995) Hydrogen bonding interactions of alpha-phenylcinnamic acid isomers in the liquid phase studied by IR and NMR spectroscopies and computational methods. JOURNAL OF MOLECULAR STRUCTURE, 348. pp. 57-60. ISSN 0022-2860

Tasi, Gyula and Pálinkó, István (1995) Using molecular electrostatic potential maps for similarity studies. TOPICS IN CURRENT CHEMISTRY, 174. pp. 45-71. ISSN 0340-1022

Torok, B. and Pálinkó, István and Tasi, Gyula and Bogár, Ferenc (1994) Gas chromatographic-mass spectrometric determination of alpha-phenylcinnamic acid isomers: Practical and theoretical aspects. JOURNAL OF CHROMATOGRAPHY A, 668 (2). pp. 353-358. ISSN 0021-9673

Kiricsi, Imre and Pálinkó, István and Tasi, Gyula and Hannus, István (1994) Incorporating SnO2.xH2O into the Interlayer Spacings of Montmorillonite. MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 244 (1). pp. 149-154. ISSN 1058-725X

Tasi, Gyula and Pálinkó, István and Nyerges, L. (1993) Calculation of electrostatic potential maps and atomic charges for large molecules. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 33 (3). pp. 296-299. ISSN 0095-2338

Book Section

Pálinkó, István and Tasi, Gyula and Török, B. (1995) Bond order calculations on neutral molecules and radical cations: Predicting fragmentation patterns of alpha-phenylcinnamic acid silylesters on electron impact ionization. In: QSAR and Molecular Modelling: Concepts, Computational Tools and Biological Applications: Proceedings of the 10th European Symposium on Structure-Activity Relationships, QSAR and Molecular Modelling. Prous Science Publishers, Barcelona, pp. 305-307. ISBN 9788481240795

Bogár, Ferenc and Tasi, Gyula and Pálinkó, István and Török, Béla (1993) Full geometric optimization of alpha-phenyl cinnamic acid isomers. In: IBM Academic Initiative Hungary : Project Report 1991-1993: the first two years of the IBM academic initiative in Hungary. Aula Kiadó, Budapest, pp. 68-71.

Monograph

Hannus, István and Halász, János and Tasi, Gyula (2007) Klórtartalmú szénvegyületek hidrodeklórozása zeolitokon = Hydrodechlorination of chlorine compounds on zeolites. Project Report. OTKA.