Issue Title
Vol 84, No 8 (2019): Special Issue Devoted to Academician Miljenko Perić Hydrogen transfer reaction: Bond formation and bond cleavage through the eyes of interacting quantum atoms Abstract  PDF (2,307 kB)
Branislav Milovanović, Mihajlo Etinski, Milena Petković
Vol 83, No 2 (2018) Mechanistic, energetic and structural studies of single-walled carbon nanotubes functionalized with penicillamine Abstract  PDF (4,100 kB)  Supplementary Material (2,43 MB)
Hosein Shaki, Ali Morsali, Heidar Raissi, Mohammad Hakimi, S. Ali Beyramabadi
Vol 80, No 11 (2015) Spin state relaxation of iron complexes: the case for OPBE and S12g functionals Abstract  PDF  Supplementary Material
Maja Gruden, Stepan Stepanovic, Marcel Swart
Vol 84, No 1 (2019) A simple relationship of bond dissociation energy and average charge separation to impact sensitivity for nitro explosives Abstract  PDF (3,133 kB)
Zheng Mei, Fengqi Zhao, Siyu Xu, Xuehai Ju
Vol 81, No 12 (2016) Unrevealing mechanism of the thermal tautomerization of avobenzone by means of quantum chemical computations Abstract  PDF (2,969 kB)
Marko Kojić, Milena Petković, Mihajlo Etinski
Vol 85, No 8 (2020) Properties of the excited electronic states of guanine quartet complexes with alkali metal cations Abstract  PDF (2,501 kB)  Supplementary Material (1.92 MB)
Branislav Ž. Milovanović, Milena M. Petković, Mihajlo R. Etinski
Vol 84, No 8 (2019): Special Issue Devoted to Academician Miljenko Perić Calculation of the Jahn-Teller parameters with DFT - Authors’ Review Abstract  PDF (3,515 kB)
Matija Zlatar, Maja Gruden
Vol 84, No 8 (2019): Special Issue Devoted to Academician Miljenko Perić Vibronic and spin–orbit coupling effects in the absorption spectra of pyrazine: A quantum chemical approach Abstract  PDF (2.4446 kB)
Fabian Dinkelbach, Christel Maria Marian
OnLine First Study on charge mobility of hexathiapentacene and its selenium analogs Abstract  PDF (1,300 kB)
Su-Qin Zhou, Qi-Ying Xia, Meng Liang, Xuehai Ju
Vol 80, No 12 (2015) X-ray, Hirshfeld surface analysis, spectroscopic and DFT studies of PAHs: fluoranthene and acenaphthene Abstract  PDF  Supplementary Material
Wioleta Śmiszek-Lindert, Anna Michta, Aleksandra Tyl, Grzegorz Małecki, Elżbieta Chełmecka, Sławomir Maślanka
Vol 82, No 10 (2017) Structural and electronic effects of cation binding (Li+, Na+, K+, Mg2+ and Ca2+) to the π system of the (ƞ6-benzene)–Cr(CO)3 complex: A theoretical study Abstract  PDF (2,051 kB)  Supplementary Material (2,40 MB)
Ayyavoo Kalpana, Lakshminarayanan Akilandeswari
1 - 11 of 11 Items

Search tips:

  • Search terms are case-insensitive
  • Common words are ignored
  • By default only articles containing all terms in the query are returned (i.e., AND is implied)
  • Combine multiple words with OR to find articles containing either term; e.g., education OR research
  • Use parentheses to create more complex queries; e.g., archive ((journal OR conference) NOT theses)
  • Search for an exact phrase by putting it in quotes; e.g., "open access publishing"
  • Exclude a word by prefixing it with - or NOT; e.g. online -politics or online NOT politics
  • Use * in a term as a wildcard to match any sequence of characters; e.g., soci* morality would match documents containing "sociological" or "societal"