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On the Relation Between Conformational Changes and Optical Properties in Oligothiophenes, 2. Linear and Nonlinear Optical Properties.
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- Macromolecular Theory & Simulations, 2001, v. 10, n. 6, p. 592, doi. 10.1002/1521-3919(20010701)10:6<592::AID-MATS592>3.0.CO;2-4
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On the Electrochemistry and Spectroelectrochemistry of Small Model Star-Shaped Compounds: 1,3,5-Triaryl-1-Methoxybenzenes and 2,4,6-Triaryl-1,3,5-Trimethoxybenzenes.
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- ChemPhysChem, 2012, v. 13, n. 9, p. 2322, doi. 10.1002/cphc.201200127
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Structural Changes in 2-Diarylthiophene-Substituted Starburst Compounds upon Charging: A Theoretical and Spectroelectrochemical Study.
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- ChemPhysChem, 2008, v. 9, n. 17, p. 2501, doi. 10.1002/cphc.200800479
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Anodic oxidation of selenadiazoloquinolones in alkaline media.
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- Magnetic Resonance in Chemistry, 2011, v. 49, n. 4, p. 168, doi. 10.1002/mrc.2716
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Nature of interaction energy anisotropy in the Li(<sup>2</sup>S)–HF (X<sup>1</sup>Σ<sup>+</sup>) van der Waals complex. A theoretical study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2003, v. 109, n. 6, p. 316, doi. 10.1007/s00214-003-0431-9
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Solvent effect on the anodic oxidation of tannic acids: EPR/UV-Vis spectroelectrochemical and DFT theoretical study.
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- Journal of Solid State Electrochemistry, 2015, v. 19, n. 9, p. 2533, doi. 10.1007/s10008-015-2921-9
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Radical anions of quinoxalines (an in situ electron paramagnetic resonance spectroelectrochemical and theoretical study).
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- Journal of Solid State Electrochemistry, 2015, v. 19, n. 1, p. 113, doi. 10.1007/s10008-014-2625-6
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5,7,8,10,15,17,18,20-Octaphenyl-21,23-dithiaporphyrin: synthesis, structure and spectroelectrochemistry.
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- Journal of Solid State Electrochemistry, 2015, v. 19, n. 1, p. 123, doi. 10.1007/s10008-014-2626-5
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Photoinduced decarboxylation of 9-oxo-6,9-dihydro[1,2,5]selenadiazolo[3,4- f]quinoline-8-carboxylic acid.
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- Journal of Physical Organic Chemistry, 2012, v. 25, n. 8, p. 643, doi. 10.1002/poc.1955
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Degradation Mechanisms of 4,7-Dihydroxycoumarin Derivatives in Advanced Oxidation Processes: Experimental and Kinetic DFT Study.
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- International Journal of Environmental Research & Public Health, 2023, v. 20, n. 3, p. 2046, doi. 10.3390/ijerph20032046
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On the NH and CH acidities of toluidine isomers: theoretical description and practical consequences for the synthesis of certain aniline dyes.
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- Coloration Technology, 2021, v. 137, n. 4, p. 389, doi. 10.1111/cote.12536
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Shape memory effect of dehydrochlorinated crosslinked poly(vinyl chloride).
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- Macromolecular Chemistry & Physics, 1997, v. 198, n. 10, p. 3161, doi. 10.1002/macp.1997.021981014
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On the Potential Role of the (Pseudo-) Jahn–Teller Effect in the Membrane Transport Processes: Enniatin B and Beauvericin.
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- Molecules, 2023, v. 28, n. 17, p. 6264, doi. 10.3390/molecules28176264
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How Does Pseudo-Jahn-Teller Effect Induce the Photoprotective Potential of Curcumin?
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- Molecules, 2023, v. 28, n. 7, p. 2946, doi. 10.3390/molecules28072946
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On energetics of proton and electron transfer of selected phenol derivatives: Theoretical investigation of radical and oxonium cations.
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 24, p. 1, doi. 10.1002/qua.27176
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Substitution effect on the intermolecular halogen and hydrogen bonds of the σ-bonded fluorinated pyridine···XY/HX complexes (XY = F<sub>2</sub>, Cl<sub>2</sub>, ClF; HX = HF, HCl).
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- International Journal of Quantum Chemistry, 2014, v. 114, n. 13, p. 869, doi. 10.1002/qua.24679
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Computational homogenization and nonlinear effects in heterogeneous fluid saturated porous media.
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- PAMM: Proceedings in Applied Mathematics & Mechanics, 2014, v. 14, n. 1, p. 449, doi. 10.1002/pamm.201410212
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Homogenization approach for optimal design of perforated layer in acoustic wave propagation.
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- PAMM: Proceedings in Applied Mathematics & Mechanics, 2011, v. 11, n. 1, p. 801, doi. 10.1002/pamm.201110389
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Modeling of the contrast-enhanced perfusion test in liver based on the multi-compartment flow in porous media.
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- Journal of Mathematical Biology, 2018, v. 77, n. 2, p. 421, doi. 10.1007/s00285-018-1209-y
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Tuning Redox Properties and Self‐Assembly of Thienoacene‐Extended Tetrathiafulvalenes.
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- ChemPlusChem, 2019, v. 84, n. 9, p. 1279, doi. 10.1002/cplu.201800626
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Polyradical PROXYL/TEMPO-Derived Amides: Synthesis, Physicochemical Studies, DFT Calculations, and Antimicrobial Activity.
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- ChemPlusChem, 2017, v. 82, n. 11, p. 1326, doi. 10.1002/cplu.201700343
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On relativistic effects in ground state potential curves of Zn<sub>2</sub>, Cd<sub>2</sub>, and Hg<sub>2</sub> dimers. A CCSD(T) study.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 65, doi. 10.1002/jcc.21030
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Perturbative formulation of dispersion contributions to interaction energy of van der Waals systems of 'closed-shell-open-shell' type.
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- Journal of Computational Chemistry, 1999, v. 20, n. 8, p. 857, doi. 10.1002/(SICI)1096-987X(199906)20:8<857::AID-JCC10>3.0.CO;2-#
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B3LYP Study of 3-hydroxynaphthalene-2-carboxanilide para-derivatives.
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- Acta Chimica Slovenica, 2018, v. 65, n. 1, p. 23, doi. 10.17344/acsi.2017.3371
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On the Thermodynamics of antioxidant action of naturally occurring hydroxyderivatives of cis-cinnamic acid.
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- Journal of the Serbian Society for Computational Mechanics, 2020, p. 26, doi. 10.24874/jsscm.2020.01.03
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Multiscale finite element calculations in Python using SfePy.
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- Advances in Computational Mathematics, 2019, v. 45, n. 4, p. 1897, doi. 10.1007/s10444-019-09666-0
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On the diffusion coefficients and stability of van der Waals complex Hg... N<sub>2</sub>.
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- International Journal of Quantum Chemistry, 2008, v. 108, n. 12, p. 2150, doi. 10.1002/qua.21744
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Perturbative calculation of the Hartree-Fock interaction energy using orthogonalized orbitals.
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- International Journal of Quantum Chemistry, 1999, v. 75, n. 2, p. 81, doi. 10.1002/(SICI)1097-461X(1999)75:2<81::AID-QUA2>3.0.CO;2-3
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Ab initio calculation of structure and transport properties of He...X (X = Zn, Cd, Hg) van der Waals complexes.
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- Journal of Computational Chemistry, 2012, v. 33, n. 7, p. 767, doi. 10.1002/jcc.22904
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Relativistic effects in HgHe and HgXe CCSD(T) ground state potential curves. Low-density viscosity simulations of Hg:Xe mixture.
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- Journal of Computational Chemistry, 2011, v. 32, n. 2, p. 356, doi. 10.1002/jcc.21629
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