@ARTICLE{
author={Sillar Kaido,Grubisic Sonja,Djordjevic Ivana S,Hochlaf Majdi},
year={2026},
title={Chemically Accurate Prediction of CO2 Adsorption Thermodynamics in Metal-Organic Framework CALF-20: Complementary Ab Initio Modeling and Grand Canonical Monte Carlo Simulations},
journal={SMALL STRUCTURES},
volume={7},
number={2},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Grubisic Sonja,Dahmani R,Djordjevic Ivana S,Sentic Milica N,Hochlaf M},
year={2023},
title={Selective adsorption of sulphur dioxide and hydrogen sulphide by metal-organic frameworks},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={25},
number={2},
pages={954-965},
document_type={Article},
} 

@ARTICLE{
author={Reis Heribert,Zuchowski Piotr,Grubisic Sonja},
year={2022},
title={Editorial: Computational Methods for the Description of Intermolecular Interactions and Molecular Motion in Confining Environments},
journal={FRONTIERS IN CHEMISTRY},
volume={10},
number={},
pages={-},
document_type={Editorial Material},
} 

@ARTICLE{
author={Radojkovic Bojana M,Marunkic Dunja D,Milosevic Milena D,Grubisic Sonja,Pejic Jovanka N,Jegdic Bore V,Marinkovic Aleksandar D},
year={2022},
title={Analysis of the Ce(III) chloride, Ce(III) nitrate, and Ce(III) propionate as corrosion inhibitor of the aluminum alloys in NaCl solution},
journal={MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION},
volume={73},
number={10},
pages={1604-1614},
document_type={Article},
} 

@ARTICLE{
author={Jovanovic Milan,Turkovic Nemanja,Ivkovic Branka M,Vujic Zorica B,Nikolic Katarina M,Grubisic Sonja},
year={2021},
title={3D-QSAR, molecular docking and in silico ADMET studies of propiophenone derivatives with anti-HIV-1 protease activity},
journal={STRUCTURAL CHEMISTRY},
volume={32},
number={6},
pages={2341-2353},
document_type={Article},
} 

@ARTICLE{
author={Dahmani Rahma,Grubisic Sonja,Djordjevic Ivana S,Ben Yaghlane Saida,Boughdiri Salima,Chambaud G,Hochlaf Majdi},
year={2021},
title={In silico design of a new Zn-triazole based metal-organic framework for CO2 and H2O adsorption},
journal={JOURNAL OF CHEMICAL PHYSICS},
volume={154},
number={2},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Adejumo Temiloluwa T,Tzouras Nikolaos V,Zorba Leandros P,Radanovic Dusanka D,Pevec Andrej,Grubisic Sonja,Mitic Dragana M,Andjelkovic Katarina K,Vougioukalakis Georgios C,Cobeljic Bozidar R,Turel Iztok},
year={2020},
title={Synthesis, Characterization, Catalytic Activity, and DFT Calculations of Zn(II) Hydrazone Complexes},
journal={MOLECULES},
volume={25},
number={18},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Dahmani Rahma,Grubisic Sonja,Ben Yaghlane Saida,Boughdiri Salima,Hochlaf Majdi},
year={2019},
title={Complexes of Zn(II)-Triazoles with CO2 and H2O: Structures, Energetics, and Applications},
journal={JOURNAL OF PHYSICAL CHEMISTRY A},
volume={123},
number={26},
pages={5555-5565},
document_type={Article},
} 

@ARTICLE{
author={Nikolic Stefan R,Grguric-Sipka Sanja R,Djordjevic Ivana S,Dahmani Rahma,Dekanski Dragana P,Vidicevic Sasenka,Tosic Jelena,Mitic Dragana M,Grubisic Sonja},
year={2019},
title={Half-sandwich ruthenium(II)-arene complexes: synthesis, spectroscopic studies, biological properties, and molecular modeling},
journal={JOURNAL OF COORDINATION CHEMISTRY},
volume={72},
number={1},
pages={148-163},
document_type={Article},
} 

@ARTICLE{
author={Elshaflu Hana,Todorovic Tamara R,Nikolic Milan R,Lolic Aleksandar Dj,Visnjevac Aleksandar,Hagenow Stefanie,Padron Jose M,Garcia-Sosa Alfonso T,Djordjevic Ivana S,Grubisic Sonja,Stark Holger,Filipovic Nenad R},
year={2018},
title={Selenazolyl-hydrazones as Novel Selective MAO Inhibitors With Antiproliferative and Antioxidant Activities: Experimental and In-silico Studies},
journal={FRONTIERS IN CHEMISTRY},
volume={6},
number={},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Andjelkovic Katarina K,Pevec Andrej,Grubisic Sonja,Turel Iztok,Cobeljic Bozidar R,Milenkovic Milica R,Keskic Tanja,Radanovic Dusanka D},
year={2018},
title={Crystal structures and DFT calculations of mixed chloride-azide zinc(II) and chloride-isocyanate cadmium(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={1162},
number={},
pages={63-70},
document_type={Article},
} 

@ARTICLE{
author={Romanovic Mima C,Milenkovic Milica R,Pevec Andrej,Turel Iztok,Spasojevic Vojislav V,Grubisic Sonja,Radanovic Dusanka D,Andjelkovic Katarina K,Cobeljic Bozidar R},
year={2018},
title={Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent},
journal={POLYHEDRON},
volume={139},
number={},
pages={142-147},
document_type={Article},
} 

@ARTICLE{
author={Romanovic Mima C,Cobeljic Bozidar R,Pevec Andrej,Turel Iztok,Grubisic Sonja,Radanovic Dusanka D,Andjelkovic Katarina K,Milenkovic Marina T,Milenkovic Milica R},
year={2017},
title={Synthesis, characterization, DFT calculations and antimicrobial activity of Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent},
journal={JOURNAL OF COORDINATION CHEMISTRY},
volume={70},
number={21},
pages={3702-3714},
document_type={Article},
} 

@ARTICLE{
author={Djordjevic Ivana S,Vukasinovic Jelena S,Todorovic Tamara R,Filipovic Nenad R,Rodic Marko V,Lolic Aleksandar Dj,Portalone Gustavo,Zlatovic Mario V,Grubisic Sonja},
year={2017},
title={Synthesis, structures and electronic properties of Co(III) complexes with 2-quinolinecarboxaldehyde thio- and selenosemicarbazone: A combined experimental and theoretical study},
journal={JOURNAL OF THE SERBIAN CHEMICAL SOCIETY},
volume={82},
number={7-8},
pages={825-839},
document_type={Article},
} 

@ARTICLE{
author={Sencanski Milan V,Djordjevic Ivana S,Grubisic Sonja},
year={2017},
title={Assessing the dispersive and electrostatic components of the selenium-aromatic interaction energy by DFT},
journal={JOURNAL OF MOLECULAR MODELING},
volume={23},
number={5},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Filipovic Nenad R,Elshaflu Hana,Grubisic Sonja,Jovanovic Ljiljana S,Rodic Marko V,Novakovic Irena T,Malesevic Aleksandar S,Djordjevic Ivana S,Li Haidong,Sojic Neso,Marinkovic Aleksandar D,Todorovic Tamara R},
year={2017},
title={Co(III) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues},
journal={DALTON TRANSACTIONS},
volume={46},
number={9},
pages={2910-2924},
document_type={Article},
} 

@ARTICLE{
author={Grubisic Sonja,Chandramouli Balasubramanian,Barone Vincenzo,Brancato Giuseppe},
year={2016},
title={Chain length, temperature and solvent effects on the structural properties of alpha-aminoisobutyric acid homooligopeptides},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={18},
number={30},
pages={20389-20398},
document_type={Article},
} 

@ARTICLE{
author={Todorovic Tamara R,Grubisic Sonja,Pregelj Matej,Jagodic Marko,Misirlic-Dencic Sonja T,Dulovic Marija Z,Markovic Ivanka D,Klisuric Olivera R,Malesevic Aleksandar S,Mitic Dragana M,Andjelkovic Katarina K,Filipovic Nenad R},
year={2015},
title={Structural, Magnetic, DFT, and Biological Studies of Mononuclear and Dinuclear Cu-II Complexes with Bidentate N-Heteroaromatic Schiff Base Ligands},
journal={EUROPEAN JOURNAL OF INORGANIC CHEMISTRY},
volume={},
number={23},
pages={3921-3931},
document_type={Article},
} 

@ARTICLE{
author={Djordjevic Ivana S,Grubisic Sonja,Milcic Milos K,Niketic Svetozar R},
year={2015},
title={Derivation of a new set of force field parameters for ammine complexes of chromium(III) containing halogenido ligands: modeling of the trans-influence of halogenido ligands},
journal={JOURNAL OF THE SERBIAN CHEMICAL SOCIETY},
volume={80},
number={3},
pages={329-342},
document_type={Article},
} 

@ARTICLE{
author={Filipovic Nenad R,Grubisic Sonja,Jovanovic Maja,Dulovic Marija Z,Markovic Ivanka D,Klisuric Olivera R,Marinkovic Aleksandar D,Mitic Dragana M,Andjelkovic Katarina K,Todorovic Tamara R},
year={2014},
title={Palladium(II) Complexes with N-Heteroaromatic Bidentate Hydrazone Ligands: The Effect of the Chelate Ring Size and Lipophilicity on in vitro Cytotoxic Activity},
journal={CHEMICAL BIOLOGY & DRUG DESIGN},
volume={84},
number={3},
pages={333-341},
document_type={Article},
} 

@ARTICLE{
author={Grubisic Sonja,Brancato Giuseppe,Barone Vincenzo},
year={2013},
title={An improved AMBER force field for alpha,alpha-dialkylated peptides: intrinsic and solvent-induced conformational preferences of model systems},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={15},
number={40},
pages={17395-17407},
document_type={Article},
} 

@ARTICLE{
author={Grubisic Sonja,Brancato Giuseppe,Pedone Alfonso,Barone Vincenzo},
year={2012},
title={Extension of the AMBER force field to cyclic alpha,alpha dialkylated peptides},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={14},
number={44},
pages={15308-15320},
document_type={Article},
} 

@ARTICLE{
author={Peric Marko R,Zlatar Matija S,Grubisic Sonja,Gruden-Pavlovic Maja A},
year={2012},
title={Magnetic couplings mediated through the non-covalent interactions},
journal={POLYHEDRON},
volume={42},
number={1},
pages={89-94},
document_type={Article},
} 

@ARTICLE{
author={Peric Marko R,Zlatar Matija S,Gruden-Pavlovic Maja A,Grubisic Sonja},
year={2012},
title={Density functional theory study of the magnetic coupling interaction in a series of binuclear oxalate complexes},
journal={MONATSHEFTE FUR CHEMIE},
volume={143},
number={4},
pages={569-577},
document_type={Article},
} 

@ARTICLE{
author={Andjelkovic Ljubica D,Peric Marko R,Zlatar Matija S,Grubisic Sonja,Gruden-Pavlovic Maja A},
year={2012},
title={Magnetic criteria of aromaticity in a benzene cation and anion: how does the Jahn-Teller effect influence the aromaticity?},
journal={TETRAHEDRON LETTERS},
volume={53},
number={7},
pages={794-799},
document_type={Article},
} 

@ARTICLE{
author={Ancilotto Francesco,Da Re Marco,Grubisic Sonja,Hernando A,Silvestrelli PL,Toigo F},
year={2011},
title={Grand Canonical Monte Carlo study of argon adsorption in aluminium nanopores},
journal={MOLECULAR PHYSICS},
volume={109},
number={23-24},
pages={2787-2796},
document_type={Article},
} 

@ARTICLE{
author={Peric Marko R,Niketic Svetozar R,Zlatar Matija S,Gruden-Pavlovic Maja A,Grubisic Sonja},
year={2011},
title={DFT and MM description of the structure and magnetic properties of manganese complexes with X-phenylcyanamido bridging ligand},
journal={MONATSHEFTE FUR CHEMIE},
volume={142},
number={6},
pages={585-592},
document_type={Article},
} 

@ARTICLE{
author={Andjelkovic Ljubica D,Grubisic Sonja,Djordjevic Ivana S,Zlatar Matija S,Niketic Svetozar R,Gruden-Pavlovic Maja A},
year={2010},
title={Consistent force field for metalloporphyrins},
journal={JOURNAL OF THE SERBIAN CHEMICAL SOCIETY},
volume={75},
number={12},
pages={1671-1683},
document_type={Article},
} 

@ARTICLE{
author={Da Re Marco,Grubisic Sonja,Ancilotto Francesco},
year={2010},
title={Monte Carlo simulations of argon adsorption in nanoscopic linear channels},
journal={PHYSICAL REVIEW B},
volume={81},
number={20},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Grubisic Sonja,Gruden-Pavlovic Maja A,Radanovic Dusanka D,Peric Marko R,Niketic Svetozar R},
year={2009},
title={Molecular mechanics description of the stabilized effects in (ethylenediamine-N,N '-diacetato)chromate(III) dinuclear complex bridged by pyrazole-3,5-dicarboxylate: DFT calculations of magnetic properties},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={919},
number={1-3},
pages={54-58},
document_type={Article},
} 

@ARTICLE{
author={Gruden-Pavlovic Maja A,Grubisic Sonja,Zlatar Matija S,Niketic Svetozar R},
year={2007},
title={Molecular mechanics study of nickel(II) octaethylporphyrin adsorbed on graphite(0001)},
journal={INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES},
volume={8},
number={8},
pages={810-829},
document_type={Article},
} 

@ARTICLE{
author={Grubisic Sonja,Radanovic Dusanka D,Rychlewska Urszula,Warzajtis Beata,Draskovic Nenad S,Djuran Milos I,Niketic Svetozar R},
year={2007},
title={Conformational study of Co(II), Ni(II), and Cr(III) complexes of the edta-type: Crystal structure of 1D polymeric trans(O-6)-Ba[Co(1,3-pddadp)]-8H(2)O complex stabilized by infinite water tapes},
journal={POLYHEDRON},
volume={26},
number={13},
pages={3437-3447},
document_type={Article},
} 

@ARTICLE{
author={Grubisic Sonja,Gruden-Pavlovic Maja A,Niketic Svetozar R,Sakagami-Yoshida Narumi,Kaizaki Sumio},
year={2007},
title={Structural analysis of conformational flexibility in (aqua) (propanediamine-N,N'-diacetato-N-propionato)chromium(III) dihydrate. Crystal structure of cis-polar, trans(H2O, O-5)-[Cr(1,3-pddap)(H2O)]center dot 2H(2)O},
journal={JOURNAL OF COORDINATION CHEMISTRY},
volume={60},
number={7-9},
pages={851-863},
document_type={Article},
} 

@ARTICLE{
author={Grubisic Sonja,Milicic MK,Radanovic Dusanka D,Niketic Svetozar R},
year={2006},
title={Conformational analysis of edta-type rhodium(III) complexes with mixed five- and six-membered chelate rings. Structural analysis of conformational flexibility in rhodium(III) complexes containing 1,3-propanediamine-N,N '-diacetate-N,N '-di-3-propionate li},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={794},
number={1-3},
pages={125-132},
document_type={Article},
} 

@ARTICLE{
author={Grubisic Sonja,Niketic Svetozar R,Radanovic Dusanka D,Rychlewska Urszula,Warzajtis Beata},
year={2005},
title={Layered crystal structure of the trans(O5O6) isomer of potassium (1,3-propanediamine-N,N '-diacetato-N,N '-di-3-propionato) cobaltate(III) trihydrate, trans(O5O6)-K[Co(1,3-pddadp)] center dot 3H(2)O, stabilized by ionic, hydrogen bond and C=O dipolar interactions: Conformational analysis of Co(III) complexes with the 1,3-propanediamine-N,N '-diacetate-N,N '-di-3-propionate ligand},
journal={POLYHEDRON},
volume={24},
number={13},
pages={1701-1709},
document_type={Article},
} 

@ARTICLE{
author={Gruden-Pavlovic Maja A,Grubisic Sonja,Niketic Svetozar R},
year={2004},
title={Conformational analysis of octa- and tetrabromo tetraphenylporphyrins and their Ni(II) and Tb(III) complexes},
journal={JOURNAL OF INORGANIC BIOCHEMISTRY},
volume={98},
number={8},
pages={1293-1302},
document_type={Article},
} 

@ARTICLE{
author={Grubisic Sonja,Gruden-Pavlovic Maja A,Niketic Svetozar R,Kaizaki Sumio,Sakagami-Yoshida Narumi},
year={2003},
title={Structural characterization and conformational analysis of (aqua)(ethylenediamine-N,N,N '-triacetato)chromium(III) monohydrate complex. Crystal structure of the cis-equatorial isomer of [Cr(ed3a)(H2O)]center dot H2O},
journal={INORGANIC CHEMISTRY COMMUNICATIONS},
volume={6},
number={9},
pages={1180-1184},
document_type={Article},
} 

@ARTICLE{
author={Grubisic Sonja,Gruden-Pavlovic Maja A,Niketic Svetozar R,Sakagami-Yoshida Narumi,Kaizaki Sumio},
year={2003},
title={Structural characterization of the trans-equatorial isomer of (aqua)(ethylenediamine-N,N,N '-tripropionato)chromium(III) trihydrate, [Cr(edtrp)(H2O)]center dot 3H(2)O},
journal={TRANSITION METAL CHEMISTRY},
volume={28},
number={1},
pages={37-42},
document_type={Article},
} 

@ARTICLE{
author={Grubisic Sonja,Gruden Maja A,Niketic Svetozar R,Sakagami-Yoshida Narumi,Kaizaki Sumio},
year={2002},
title={Conformational analysis of EDTA-type chromium(III) complexes with beta-propionato metal chelate rings},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={609},
number={1-3},
pages={1-9},
document_type={Article},
} 

@ARTICLE{
author={Gruden Maja A,Grubisic Sonja,Coutsolelos AG,Niketic Svetozar R},
year={2001},
title={Conformational analysis of octa- and tetrahalogenated tetraphenylporphyrins and their metal derivatives},
journal={JOURNAL OF MOLECULAR STRUCTURE},
volume={595},
number={1-3},
pages={209-224},
document_type={Article},
}