I. Krauklis

发表

Spectroscopy and quantum-chemical calculations of nitro-bis-bipyridyl complexes of ruthenium(II) with 4-substituted pyridine ligands

S. V. Litke, A. Y. Ershov, K. Reshetova, 2016 .

Spectroscopic and quantum-chemical investigations of chloro-bis-bipyridyl complexes of ruthenium(II) with 4-substituted pyridine ligands

S. V. Litke, A. Y. Ershov, K. Reshetova, 2014 .

Application of DFT for the modeling of the valence region photoelectron spectra of boron and d‐element complexes and macromolecules

S. Tikhonov, V. Vovna, I. Krauklis, 2016 .

Electronically exited states in triphenylphosphine complexes of Ruthenium (II): TD DFT study

K. Reshetova, I. Krauklis, Y. Chizhov, 2017 .

Linkage isomerism of CO adsorbed on alkali halides.

A. Tsyganenko, I. Krauklis, Maria V. Maevskaya, 2015, The journal of physical chemistry. A.

Photoelectron spectroscopy of irontricarbonyl complexes of vinylnaphthalenes: Quantum-chemical calculations by the density functional method

I. Krauklis, Y. Chizhov, 2005 .

Photoelectron spectroscopy of molecular systems and quantum-chemical calculations in terms of the density functional theory: Iron π complexes L-Fe(CO)3

I. Krauklis, Y. Chizhov, 2004 .

Modeling of cationic and excited states of γ-substituted boron difluoride acetylacetonates

A. S. Chekh, V. Vovna, I. Krauklis, 2019 .

Ozone Activation on TiO2 Studied by IR Spectroscopy and Quantum Chemistry

A. Tsyganenko, I. Krauklis, O. Pestsov, 2021, Applied Sciences.

Quantum chemical modeling of mutation-induced amino acid substitutions in the copper-binding site of azurin

V. Maslov, V. Stefanov, I. Krauklis, 2016, Journal of Evolutionary Biochemistry and Physiology.

Comparative analysis of metal-binding centers in homologous domains of human coagulation factor VIII and ceruloplasmin

V. Maslov, V. Stefanov, I. Krauklis, 2017, Journal of Evolutionary Biochemistry and Physiology.

Raman Spectra of Glycine and Their Modeling in Terms of the Discrete–Continuum Model of Their Water Solvation Shell

A. V. Tulub, V. Chelibanov, A. Golovin, 2020, Optics and Spectroscopy.

Polarized Raman Study of Internal Vibrations of the Organic Cation in 3-Cyanopyridinium Lead Tribromide Post-perovskite.

A. Emeline, Y. Kapitonov, I. Krauklis, 2023, The journal of physical chemistry letters.

DFT modeling of Mn charged states in Ga1 − xMnxAs diluted ferromagnetic semiconductors: The cluster approach

I. Krauklis, Y. Chizhov, O. Y. Podkopaeva, 2014 .