Browsing by Author KOVACS ATTILA

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Publication YearJRC N°TitleAuthor(s), Editor(s), Other Contributor(s)Publication Type
2014JRC91961Az f-elemek elektronszerkezetePOGANY Peter; KOVACS ATTILAArticles in periodicals and books
2017JRC100261Benchmarking density functionals in conjunction with Grimme’s dispersion correction for noble gas dimers (Ne2, Ar2, Kr2, Xe2, Rn2)KOVACS ATTILA; DOBROWOLSKI JAN; OSTROWSKI SLAWOMIR; RODE JOANNAArticles in periodicals and books
2011JRC64469Computed vibrational frequencies of actinide oxides AnO0/+/2+ and AnO20/+/2+ (An = Th, Pa, U, Np, Pu, Am, Cm)KOVACS ATTILA; KONINGS RudyArticles in periodicals and books
2014JRC89491A DFT Investigation of the Interactions of Pd, Ag, Sn and Cs with silicon carbideRABONE JEREMY; KOVACS ATTILAArticles in periodicals and books
2017JRC102376Electronic structure and spectroscopic properties of mixed sodium actinide oxides Na2AnO4 (An = U, Np, Pu, Am)KOVACS ATTILAArticles in periodicals and books
2017JRC107735Electronic structure of mixed caesium actinide oxides Cs2AnO4 (An = U, Np, Pu, Am)KOVACS ATTILAArticles in periodicals and books
2011JRC65771How accurate are electronic structure methods for actinoid chemistry?AVERKIEV Boris; MANTINA Manjeera; VALERO Rosendo; INFANTE Ivan; KOVACS ATTILA; TRUHLAR Donald G.; GAGLIARDI LArticles in periodicals and books
2013JRC79777Interaction of advanced oxide fuels with sodium in operating conditions for Sodium-cooled Fast ReactorsSMITH ANNA; BYKOV DENIS; RAISON Philippe; KONINGS Rudy; COLLE Jean-Yves; WALLEZ G; BENES ONDREJ; APOSTOLIDIS Christos; KOVACS ATTILA; SUARD E., et alArticles in periodicals and books
2014JRC92285Joint Raman spectroscopic and quantum chemical analysis of the vibrational features of Cs2RuO4NAJI MOHAMED; DI LEMMA FIDELMA; KOVACS ATTILA; BENES ONDREJ; MANARA Dario; COLLE Jean-Yves; PAGLIOSA Giorgio; RAISON Philippe; KONINGS RudyArticles in periodicals and books
2015JRC96350'Lanthanide contraction' in [Ln(BTP)3](CF3SO3)3 complexesKOVACS ATTILA; APOSTOLIDIS Christos; WALTER OLAF; LINDQVIST-REIS PatricArticles in periodicals and books
2013JRC75616Mass spectrometric study of the vaporization behaviour of a-Na2NpO4: Thermodynamic investigation of the enthalpy of formationSMITH ANNA; COLLE Jean-Yves; BENES ONDREJ; KOVACS ATTILA; RAISON Philippe; KONINGS RudyArticles in periodicals and books
2010JRC59746Matrix-isolation FT-IR study of (CsBr)n and (CsI)n (n = 1-3)GROEN Cornelius Petrus; KOVACS ATTILAArticles in periodicals and books
2017JRC103651Modelling the matrix shift on the vibrational frequency of ThO by DFT-D3 calculationsKOVACS ATTILA; RODE JoannaArticles in periodicals and books
2016JRC100818Molecular data of mixed metal oxides with importance in nuclear safetyKOVACS ATTILA; KONINGS RudyArticles in periodicals and books
2012JRC67218Molecular 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 StudyGROEN Cornelius Petrus; KOVACS ATTILA; VARGA Z.; HARGITTAI MagdonlaArticles in periodicals and books
2015JRC89293Quantum chemical calculations and experimental investigations of molecular actinide oxidesKOVACS ATTILA; KONINGS Rudy; GIBSON John K.; INFANTE Ivan; GAGLIARDI LauraArticles in periodicals and books
2017JRC105662Relativistic multireference quantum chemical study of the electronic structure of actinide trioxide moleculesKOVACS ATTILAArticles in periodicals and books
2013JRC83790Structure and other molecular properties of actinide trichlorides AnCl3 (An = Th–Cm)KOVACS ATTILA; KONINGS Rudy; VARGA Zoltán; SZIEBERTH DénesArticles in periodicals and books
2014JRC86984Study of the An-Cl bond contraction in actinide trichloridesKOVACS ATTILA; KONINGS Rudy; SZIEBERTH Dénes; KRÁMOS BalázsArticles in periodicals and books
2010JRC62362Synthesis, Structural, DFT, and Cytotoxicity Studies of CuII and NiII Complexes with 3-Aminopyrazole DerivativesHOLLÓ Berta; LEOVAC Vukadin M.; JOVANOVIC Ljiljana S.; DIVJAKOVIC Vladimir; MÉSZÁROS SZÉCSÉNYI Katalin; BOMBICZ Petra; KOVACS ATTILA; BOGDANOVIC Gordana; KOJIC Vesna; JOKSOVIC Milan D.Articles in periodicals and books