L
Ljupčo Pejov
Researcher at Macedonian Academy of Sciences and Arts
Publications - 98
Citations - 1247
Ljupčo Pejov is an academic researcher from Macedonian Academy of Sciences and Arts. The author has contributed to research in topics: Anharmonicity & Ab initio. The author has an hindex of 21, co-authored 94 publications receiving 1149 citations. Previous affiliations of Ljupčo Pejov include Uppsala University.
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Using MD snapshots in ab initio and DFT calculations: OH vibrations in the first hydration shell around Li+(aq).
TL;DR: The average OH stretching vibrational frequency for the water molecules in the first hydration shell around a Li(+) ion in a dilute aqueous solution was calculated by a hybrid molecular dynamics + quantum-mechanical ("MD + QM") approach.
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Ab initio HF, density functional and experimental studies on the IR spectra and structure of 1,2-benzisothiazol-3-(2H)-thione-1,1-dioxide (thiosacchanin) and its nitranion
TL;DR: The spectral and structural changes taking place in the course of the conversion of 1,2-benzisothiazol-3-(2H)-thione-1,1-dioxide (thiosaccharin) into a nitranion have been studied on the basis of both IR spectra and ab initio HF 6-31G(d) and BLYP(d,p) force field calculations.
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Very low H–O–H bending frequencies. III. Fourier transform infrared study of cobalt potassium phosphate monohydrate and manganese potassium phosphate monohydrate
TL;DR: In this article, Fourier transform infrared (FTIR) spectra were recorded, at room temperature (RT) and at the boiling temperature of liquid nitrogen (LNT), for two compounds of the MKPO 4 ·H 2 O type (where M∈{Co, Mn}) and of their deuterated analogues.
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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
TL;DR: In this article, Fourier transform infrared spectra of isotopomeric 35 ClO 4 − and 37 ClO4 − anions isomorphously isolated in potassium permanganate matrix were recorded at room and low temperature.
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Computational Investigation of the Weakly Bound Dimers HOX···SO3 (X = F, Cl, Br)
TL;DR: The electronic structure and thermochemical stability of the HOX-SO(3) (X = F, Cl, Br) complexes is studied using second-order Møller-Plesset perturbation theory (MP2).