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Browsing by Subject Ab initio calculations


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0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
Showing results 1 to 12 of 12
Issue DateTitleAuthor(s)
1-Jan-1997Ab initio investigation of the Renner-Teller effect in tetra-atomic moleculesPerić, Miljenko ; Ostojić, B.; Radić-Perić, Jelena 
1-Jan-2001Ab initio investigation of the Renner-Teller effect in the A<sup>3</sup>Π<inf>u</inf> electronic state of NCNPerić, Miljenko ; Krmar, Marija; Radić-Perić, Jelena ; Stevanović, Ljiljana
1-Jan-1999Ab initio study of the electronic spectrum of BeOAdamović, Ivana; Parac, Maja; Hanrath, Michael; Perić, Miljenko 
4-Aug-2008Electronic and vibrational spectroscopy of 1-methylthymine and its water clusters: the dark state survives hydrationBusker, Matthias; Nispel, Michael; Häber, Thomas; Kleinermanns, Karl; Etinski, Mihajlo ; Fleig, Timo
15-Jul-2009Electronic properties of the Pt<inf>x</inf>Me<inf>1-x</inf>/Pt(1 1 1) (Me = Au, Bi, In, Pb, Pd, Sn and Cu) surface alloys: DFT studyPašti, Igor ; Mentus, Slavko 
15-Feb-2010Halogen adsorption on crystallographic (1 1 1) planes of Pt, Pd, Cu and Au, and on Pd-monolayer catalyst surfaces: First-principles studyPašti, Igor ; Mentus, Slavko V. 
1-Jan-2001Interplay between vibronic and spin-orbit couplings in <sup>3</sup>Π states of triatomic molecules using as an example the A<sup>3</sup>Π<inf>u</inf> electronic state of NCNKrmar, Marija; Perić, Miljenko 
15-Aug-2013Platinum-mediated healing of defective graphene produced by irradiating glassy carbon with a hydrogen ion-beamJovanović, Zoran; Pašti, Igor ; Kalijadis, Ana; Jovanović, Sonja; Laušević, Zoran
1-Jan-2005Theoretical investigation of the hyperfine structure in spatially and spin degenerate electronic states of triatomic and tetra-atomic moleculesJerosimić, Stanka ; Krmar, Marija; Radić-Perić, Jelena ; Perić, Miljenko 
10-May-2015Thermally induced polymerization of binuclear [Ni<inf>2</inf>(en)<inf>2</inf>(H<inf>2</inf>O)<inf>6</inf>(pyr)]·4H<inf>2</inf>O complexBegović, Nebojša N.; Stojanović, Nemanja N.; Ostojić, Sanja B.; Radulović, Aleksandra M.; Blagojević, Vladimir A.; Simonović, Branislav; Minić, Dragica 
5-Apr-2003Use of the normal coordinates in variational and perturbative ab initio handling of the vibronic and spin-orbit couplings in Π electronic states of linear tetra-atomic moleculesPerić, Miljenko ; Stevanović, Ljiljana
1-Jan-2018Variational calculation of the vibronic spectrum in the X<sup>2</sup>Π<inf>u</inf> electronic state of C<inf>6</inf><sup>–</sup>Mitić, Marko ; Milovanović, Milan ; Ranković, Radomir ; Jerosimić, Stanka ; Perić, Miljenko 
Showing results 1 to 12 of 12

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University of Belgrade
Faculty of Physical Chemistry
Studentski trg 12-16
11158 Belgrade 118
PAC 105305
SERBIA
University of Belgrade Faculty of Physical Chemistry