Search Results - "Jerosimic, Stanka"
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Investigating Possible Dipole‐Bound States of Cyanopolyynes: the Case for the C5N− Anion Detected in Interstellar Space
Published in Chemphyschem (16-11-2023)“…We present results of quantum structure calculations aimed at demonstrating the possible existence of dipole‐bound states (DBS) for the anion C5N- ${{\rm{C}}_5…”
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2
Theoretical and experimental study of small potassium-bromide KnBr(0,1+) (n = 2–6) and KnBrn-1(0,1+) (n = 3–5) clusters
Published in Journal of alloys and compounds (15-09-2020)“…In the present paper, the results of combined theoretical and experimental investigation of small non-stoichiometric bromine-doped potassium clusters are…”
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3
Topological study of nonadiabatic effects in Π electronic states of tetra-atomic molecules
Published in Molecular physics (18-10-2018)“…In this study, we investigate the topological structure of the adiabatic potential energy surfaces and nonadiabatic matrix elements in the framework of a…”
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4
SCCS−radical: Renner-Teller effect and spin-orbit coupling in the X 2Πu electronic state
Published in Journal of the Serbian Chemical Society (2019)“…SCCS- was detected by laser-induced fluorescence spectroscopy in 2003 (M. Nakajima, Y. Yoneda, Y. Sumiyoshi, T. Nagata, Y. Endo, J. Chem. Phys. 119 (2003)…”
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5
Theoretical and experimental study of the non-stoichiometric LinI (n=3 and 5) clusters
Published in Chemical physics letters (29-01-2013)“…[Display omitted] ► The experimentally obtained ionization energies of the neutral of Li3I and Li5I clusters. ► Geometry and thermodynamic stability of Li3I…”
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6
Variational calculation of the vibronic spectrum in the X2Пu electronic state of C6
Published in Journal of the Serbian Chemical Society (2018)“…A variational approach for ab initio handling of the Renner?Teller effect in six-atomic molecules with linear equilibrium geometry is elaborated. A very simple…”
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7
An ab initio study on the ground and low-lying doublet electronic states of linear C2As
Published in Chemical physics (24-01-2011)Get full text
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8
An ab initio model for handling the Renner–Teller effect in tetra-atomic molecules. I. Introduction of coordinates and the Hamiltonian
Published in Chemical physics (08-11-2006)“…With the present paper we begin an extensive study of the Renner–Teller effect in linear and quasilinear tetra-atomic molecules. Although this topic has been…”
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9
Theoretical investigation of geometry and stability of small lithium-iodide LinI (n = 2-6) clusters
Published in International journal of quantum chemistry (05-02-2014)“…We present theoretical investigation of the structural characteristics and stabilities of neutral and positively charged LinI (n = 2‐6) species. The structural…”
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10
Theoretical and experimental investigation of geometry and stability of small potassium‐iodide KnI (n = 2–6) clusters
Published in International journal of quantum chemistry (15-11-2019)“…Small heterogeneous potassium‐iodide clusters are investigated by means of ab initio electronic structural methods together with experimental production and…”
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11
Iron monocyanide (FeCN): Spin-orbit and vibronic interactions in low-lying electronic states
Published in Journal of molecular spectroscopy (01-04-2018)“…[Display omitted] •The second-order spin-orbit coupling effects in FeCN are investigated.•Renner-Teller effect is very small and can be neglected. The…”
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12
An ab initio study of antimony dicarbide (C2Sb)
Published in Chemical physics letters (05-04-2013)“…[Display omitted] ► Characterization of a new molecular species: C2Sb. ► High-level ab initio calculation including spin–orbit effects. ► The molecule is found…”
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13
Topological study of nonadiabatic effects in [Pi] electronic states of tetra-atomic molecules
Published in Molecular physics (01-10-2018)“…In this study, we investigate the topological structure of the adiabatic potential energy surfaces and nonadiabatic matrix elements in the framework of a…”
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14
Use of the group theory for classification of electronic states of acetylene
Published in Journal of the Serbian Chemical Society (01-01-2003)“…The electronic states of the acetylene molecule are classified employing the group theory combined with the use of the Walsh diagrams and some elementary…”
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15
Calculation of the magnetic hyperfine structure in the ground electronic state of HCCO
Published in Journal of molecular spectroscopy (01-04-2007)“…In this paper we analyze the spin–spin hyperfine interaction in the two components of the ground electronic state of the free π radical HCCO, A 2 A′[ 2Π] and X…”
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16
On the relationship between molecular spectroscopy and statistical mechanics: calculation of vibrational–rotational energy levels and partition functions in the ground electronic state of BC2
Published in Journal of the Serbian Chemical Society (01-01-2011)“…The results of extensive ab initio calculations of the vibrational–rotational energy spectrum in the ground electronic state of the BC2 molecule are presented…”
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17
Investigating Possible Dipole-Bound States of Cyanopolyynes: the Case for the C 5 N - Anion Detected in Interstellar Space
Published in Chemphyschem (16-11-2023)“…We present results of quantum structure calculations aimed at demonstrating the possible existence of dipole-bound states (DBS) for the anion , a species…”
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18
Theoretical and experimental study of small potassium-bromide K Br(0,1+) (n = 2–6) and K Br(0,1+) (n = 3–5) clusters
Published in Journal of alloys and compounds (01-09-2020)Get full text
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19
Theoretical investigation of the hyperfine structure in spatially and spin degenerate electronic states of triatomic and tetra-atomic molecules
Published in Journal of the Serbian Chemical Society (01-01-2005)“…The present paper reviews the results of ab initio studies on the magnetic hyperfine structure in spectra of spatially and spin degenerate electronic states of…”
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20
Use of the group theory for classification of electronic states of acetylene
Published in Journal of the Serbian Chemical Society (01-05-2003)“…The electronic states of the acetylene molecule are classified employing the group theory combined with the use of the Walsh diagrams and some elementary…”
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