| Preview | Title | Author(s) | Issue Date | Type |
| Al3+, Ca2+, Mg2+, and Li+ in aqueous solution: calculated first-shell anharmonic OH vibrations at 300 K | Pejov, Ljupčo; Spångberg, Daniel; Hermansson, Kersti | 7-Nov-2010 | |
| Anharmonic vibrational frequency shifts upon interaction of phenol+ with the open shell ligand O2. The performance of DFT methods versus MP2 | Kocevski, Vancho; Pejov, Ljupčo | 1-Mar-2012 | |
| BIASING FIELD EFFECTS ON ELECTRONIC PROPERTIES IN HALOGENATED PHENYLENE ETHYNYLENE OLIGOMERS | Petreska, Irina ; Pejov, Ljupčo; Kocarev, Ljupčo | 27-Mar-2017 | |
| Designing field-controllable graphene-dot-graphene single molecule switches: A quantum-theoretical proof-of-concept under realistic operating conditions | Pejov, Ljupčo; Petreska, Irina ; Kocarev, Ljupčo | 28-Dec-2015 | Article |
| Designing field-controllable graphene-dot-graphene single molecule switches: A quantum-theoretical proof-of-concept under realistic operating conditions | Pejov, Ljupčo; Petreska, Irina ; Kocarev, Ljupčo | 28-Dec-2015 | |
| Development of a Hybrid Statistical Physics – Quantum Mechanical Methodology for Computer Simulations of Condensed Phases and Its Implementation on High-Performance Computing Systems | Pejov, Ljupčo; Sahpaski, Dragan; Kohls, Emilija; Mishev, Anastas | 2014 | |
| Effect of partial fluorination on the Lewis sites of microcrystalline γ-alumina studied by adsorption of pyridine as a probe molecule: A quantum chemical cluster model study | Nastova, Irena; Skapin, Tomaž; Pejov, Ljupčo | Aug-2011 | |
| Fourier transform infrared study of perchlorate ( 35 ClO 4 − and 37 ClO 4 − ) anions isomorphously isolated in potassium permanganate matrix. Vibrational anharmonicity and pseudo-symmetry effects | Pejov, Ljupčo; Petruševski, Vladimir M. | Oct-2002 | |
| Minerals from Macedonia. XXVII: Theoretical and experimental study of the vibrational spectra of endemic nežilovite | Stamatovska, Nikolina; Makreski, Petre ; Pejov, Ljupčo; Jovanovski, Gligor | May-2011 | |
| Model for photoinduced bending of slender molecular crystals | Nath, Naba K; Pejov, Ljupčo; Nichols, Shane M; Hu, Chunhua; Saleh, Na'il; Kahr, Bart; Naumov, Panče | 19-Feb-2014 | |
| On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes | Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol | 4-Aug-2011 | |
| Optimization of Intermolecular Interaction Potential Energy Parameters for Monte-Carlo and Molecular Dynamics Simulations | Sahpaski, Dragan; Pejov, Ljupčo; Misev, Anastas | 2012 | |
| Quantum chemical study of p-toluenesulfonic acid, p-toluenesulfonate anion and the water-p-toluenesulfonic acid complex. Comparison with experimental spectroscopic data | Pejov, Ljupčo; Ristova, Mirjana ; Soptrajanov, Bojan | Jun-2011 | |
| Sampling rare events in hybrid statistical physics quantum mechanical studies of hydrophobic interactions in liquids: A gpu implementation | Lameski, Petre ; Pejov, Ljupčo; Djinevski, Leonid; Trajanov, Dimitar ; Filiposka, Sonja | 2015 | Proceeding article |
| Single-electron proton bound complexes of methyl radical: A theoretical study | Solimannejad, Mohammad; Amlashi, Leyla Mohammadi; Pejov, Ljupčo | Jan-2006 | |
| Structure and dynamics of water dangling OH bonds in hydrophobic hydration shells. Comparison of simulation and experiment | Tomlinson-Phillips, Jill; Davis, Joel; Ben-Amotz, Dor; Spångberg, Daniel; Pejov, Ljupčo; Hermansson, Kersti | 16-Jun-2011 | |
| Theoretical and experimental study of the vibrational spectra of (para)symplesite and hörnesite | Makreski, Petre ; Stefov, Stefan; Pejov, Ljupčo; Jovanovski, Gligor | 5-Jun-2015 | |
| Theoretical and experimental study of the vibrational spectra of liroconite, Cu2Al(AsO4)(OH)4∙4H2O and bayldonite, Cu3Pb[O(AsO3OH)2(OH)2] | Makreski, Petre ; Jovanovski, Stefan; Pejov, Ljupčo; Petruševski, Gjorgji; Ugarković, Sonja; Jovanovski, Gligor | Jul-2015 | |
| Tunneling of electrons via rotor–stator molecular interfaces: Combined ab initio and model study | Petreska, Irina ; Ohanesjan, Vladimir; Pejov, Ljupčo; Kocarev, Ljupčo | Jul-2016 | Article |
| Vibrational spectra of chemical and isotopic variants of oxyluciferin, the light emitter of firefly bioluminescence | Maltsev, Oleg V; Yue, Ling; Rebarz, Mateusz; Hintermann, Lukas; Sliwa, Michel; Ruckebusch, Cyril; Pejov, Ljupčo; Liu, Ya-Jun; Naumov, Panče | 18-Aug-2014 | |
