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Molekulsko modeliranje strukture i reaktivnosti organskih spojeva
voditelj
Organske molekule u kondenziranoj fazi: međudjelovanja i modeliranje
suradnik
Naziv
Akcije
Varga, Katarina ; Vančik, Hrvoj ; Mihalić, Zlatko
Experimental and Theoretical IR Spectra of 2- Nitrosopyridines // Croatica chemica acta, 93 (2020), 4; 339-347
Marijan, Marijan ; Jurić, Sandra ; Mihalić, Zlatko ; Kronja, Olga
Impact of the α-Ferrocenyl Group on the Solvolytic Reactivity - Electrofugality - of Ferrocenylphenylmethyl Cations // European journal of organic chemistry, 2019 (2019), 2-3; 537-546. doi: 10.1002/ejoc.201801133
Vančik, Hrvoj ; Biljan, Ivana ; Bibulić, Petar ; Varga, Katarina ; Rončević, Igor ; Mihalić, Zlatko
Reaction mechanisms in crystalline molecular solids and their general importance in physical organic chemistry: a case study // 24th IUPAC International Conference on Physical Organic Chemistry : Book of Abstracts / Cristiano, Lurdes ; Lourenço, João ; Garcia, Ana (ur.). Faro: University of Algarve, 2018. str. 83-83
Varga, Katarina ; Biljan, Ivana ; Tomišić, Vladislav ; Mihalić, Zlatko ; Vančik, Hrvoj
Quantum Chemical Calculations of Monomer–Dimer Equilibria of Aromatic C-Nitroso Compounds // The journal of physical chemistry. A, 122 (2018), 9; 2542-2549. doi: 10.1021/acs.jpca.7b12179
Vančik, Hrvoj ; Biljan, Ivana ; Bibulić, Petar ; Varga, Katarina ; Rončević, Igor ; Mihalić, Zlatko
Reactions in crystalline molecular solids: activation parameters and the nature of transition state // Math/Chem/Comp 2018 : Book of Abstracts / Vančik, Hrvoj ; Cioslowski, Jerzy (ur.). 2018. str. 21-21
Bubaš, Matej
NCU analiza u kvantno-kemijskom modeliranju mikrosolvatacije / Mihalić, Zlatko (mentor); Rončević, Igor (neposredni voditelj).
Zagreb, Prirodoslovno-matematički fakultet, Zagreb, . 2017
Varga, Katarina ; Pisačić, Mateja ; Milovac, Srđan ; Biljan, Ivana ; Tomišić, Vladislav ; Mihalić, Zlatko ; Vančik, Hrvoj
Behaviour of 2-nitrosopyridines in solution and in solid state // Math/Chem/Comp 2017 : Book of Abstracts / Vančik, Hrvoj ; Cioslowski, Jerzy (ur.). Zagreb, 2017. str. 26-26
Matej Bubaš, Igor Rončević, Zlatko Mihalić
The investigation of aniline and hydroxylaniline microsolvation using a new cluster-continuum method. 2016
Igor Rončević ; Zlatko Mihalić
Modeling the structure and reactivity of organic compounds using a new cluster-continuum solvation method. 2016
Bubaš, Matej ; Rončević, Igor ; Mihalić, Zlatko
Proučavanje mikrosolvatacije anilina i hidroksilanilina novom klaster-kontinuum metodom solvatacije // Rektorova nagrada 2015./2016.
Zagreb, Hrvatska, 17.06.2016-27.06.2016