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1. Full Text Ab initio calculation of energy levels of trivalent lanthanide ions
by Freidzon, Alexandra Ya and Kurbatov, Ilia A and Vovna, Vitaliy I
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 2018, Volume 20, Issue 21, pp. 14564 - 14577
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Perturbation theory | Energy levels | Aluminum | Group theory | Cerium | Parameterization | Empirical analysis | Yttrium-aluminum garnet | Accuracy | Energy gap | Emission spectra | Ligands | Field theory | Yttrium
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2. Full Text Formation of a supramolecular charge-transfer complex. Ultrafast excited state dynamics and quantum-chemical calculations
by Volchkov, Valery V and Khimich, Mikhail N and Rusalov, Mikhail V and Gostev, Fedor E and Shelaev, Ivan V and Nadtochenko, Viktor A and Vedernikov, Artem I and Gromov, Sergey P and Freidzon, Alexandra Ya and Alfimov, Michael V and Melnikov, Mikhail Ya
Photochemical & photobiological sciences, ISSN 1474-905X, 1/2019, Volume 18, Issue 1, pp. 232 - 241
Biochemistry & Molecular Biology | Physical Sciences | Chemistry | Life Sciences & Biomedicine | Biophysics | Chemistry, Physical | Science & Technology | Absorption spectroscopy | Femtosecond | Quantum chemistry | Alkali metals | Metals | Fluorescence | Electron transfer | Substitution reactions | Perchlorates | Alkaline earth metals | Organic chemistry | Mathematical analysis | Acetonitrile | Cations | Absorption spectra | Disruption | Charge transfer | Stilbene | Metal ions
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3. Full Text Correction: Ab initio calculation of energy levels of trivalent lanthanide ions
by Freidzon, Alexandra Ya and Kurbatov, Ilia A and Vovna, Vitaliy I
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 6/2018, Volume 2, Issue 24, pp. 16876 - 16876
Mathematical analysis | Energy levels
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4. Full Text Solvatofluorochromism and twisted intramolecular charge‐transfer state of the nile red dye
by Ya. Freidzon, Alexandra and Safonov, Andrei A and Bagaturyants, Alexander A and Alfimov, Michael V
International journal of quantum chemistry, ISSN 0020-7608, 09/2012, Volume 112, Issue 18, pp. 3059 - 3067
XMCQDPT2/CASSCF | twisted intramolecular charge transfer | Nile Red dye | TDDFT | fluorescence solvatochromism | SMD solvation model | Mathematics, Interdisciplinary Applications | Quantum Science & Technology | Physical Sciences | Chemistry | Mathematics | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Fluorescence | Specific gravity | Hydrogen | Hydrogen bonding | Analysis
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5. Full Text Ab initio calculation of energy levels of trivalent lanthanide ionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp08366a
by Freidzon, Alexandra Ya and Kurbatov, Ilia A and Vovna, Vitaliy I
ISSN 1463-9076, 5/2018, Volume 2, Issue 21, pp. 14564 - 14577
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6. Full Text Vibronic bandshape of the absorption spectra of dibenzoylmethanatoboron difluoride derivatives: analysis based on ab initio calculations
by Rukin, Pavel S and Freidzon, Alexandra Ya and Scherbinin, Andrei V and Sazhnikov, Vyacheslav A and Bagaturyants, Alexander A and Alfimov, Michael V
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 07/2015, Volume 17, Issue 26, pp. 16997 - 17006
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7. Full Text Electronic coupling of the phycobilisome with the orange carotenoid protein and fluorescence quenching
by Stadnichuk, Igor N and Krasilnikov, Pavel M and Zlenko, Dmitry V and Freidzon, Alexandra Ya and Yanyushin, Mikhail F and Rubin, Andrei B
Photosynthesis research, ISSN 0166-8595, 6/2015, Volume 124, Issue 3, pp. 315 - 335
Life Sciences | Biochemistry, general | Orange carotenoid protein | Phycobilisome(s) | Allophycocyanin | Fluorescence | Plant Physiology | L CM –polypeptide | Plant Sciences | Plant Genetics & Genomics | Quenching | L CM -polypeptide | Life Sciences & Biomedicine | Science & Technology | Protein Structure, Tertiary | Phycobilins - chemistry | Phycobilins - metabolism | Cyanobacteria - chemistry | Phycobilisomes - metabolism | Bacterial Proteins - chemistry | Cyanobacteria - metabolism | Models, Molecular | Spectrometry, Fluorescence | Bacterial Proteins - physiology | Molecular Dynamics Simulation | Phycobilisomes - chemistry | Bacterial Proteins - metabolism | Synechocystis - metabolism | Proteins | Polypeptides | Photosynthesis | Botany | Index Medicus
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8. Full Text Photoprocesses in bis(18-crown-6)-1,3-distyrylbenzene and its complexes with metal perchlorates
by Atabekyan, Levon S and Freidzon, Alexandra Ya and Chibisov, Alexander K and Gromov, Sergey P and Vatsadze, Sergey Z and Nuriev, Vyacheslav N and Medvedko, Alexey V
Dyes and pigments, ISSN 0143-7208, 01/2021, Volume 184, p. 108773
Complexation | Triplet state | Laser flash photolysis | Fluorescence | 1,3-distyrylbenzene | Quantum chemical calculations | Excited states | DFT and TDDFT calculations | Engineering | Physical Sciences | Engineering, Chemical | Materials Science, Textiles | Chemistry | Materials Science | Technology | Chemistry, Applied | Science & Technology
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9. Full Text In-Depth Ab Initio Study of Thermally Activated Delayed Fluorescence in 4,5-Di(9H‑carbazol-9-yl)-phthalonitrile
by Freidzon, Alexandra Ya and Bagaturyants, Alexander A
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, ISSN 1089-5639, 10/2020, Volume 124, Issue 39, pp. 7927 - 7934
A: Kinetics, Dynamics, Photochemistry, and Excited States | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Index Medicus
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10. Full Text First principles crystal engineering of nonlinear optical materials. I. Prototypical case of urea
by Masunov, Artëm E and Tannu, Arman and Dyakov, Alexander A and Matveeva, Anastasia D and Freidzon, Alexandra Ya and Odinokov, Alexey V and Bagaturyants, Alexander A and Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
The Journal of chemical physics, ISSN 0021-9606, 06/2017, Volume 146, Issue 24, pp. 244104 - 244104
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Second harmonic generation | First principles | Crystal lattices | Filtration | Parameters | Optics | Evolutionary algorithms | Ranking | Energy conservation | Optical properties | Predictions | Density functional theory | Ureas | Optical materials | Charge transfer | Lattice vibration | Crystal structure | Amoeba | MATERIALS SCIENCE
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11. Full Text Vibronic bandshape of the absorption spectra of dibenzoylmethanatoboron difluoride derivatives: analysis based on ab initio calculationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp02085a
by Rukin, Pavel S and Freidzon, Alexandra Ya and Scherbinin, Andrei V and Sazhnikov, Vyacheslav A and Bagaturyants, Alexander A and Alfimov, Michael V
ISSN 1463-9076, 6/2015, Volume 17, Issue 26, pp. 16997 - 176
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12. Full Text Vibronic bandshape of the absorption spectra of dibenzoylmethanatoboron difluoride derivatives: analysis based on ab initiocalculations
by Rukin, Pavel S and Freidzon, Alexandra Ya and Scherbinin, Andrei V and Sazhnikov, Vyacheslav A and Bagaturyants, Alexander A and Alfimov, Michael V
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 06/2015, Volume 17, Issue 26, pp. 16997 - 17006
Phenyls | Dyes | Absorption | Electronics | Mathematical models | Difluorides | Spectra | Derivatives
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13. Full Text Theoretical Study of Structure and Electronic Absorption Spectra of Some Schiff Bases and Their Zinc Complexes
by Vladimirova, Kseniya G and Freidzon, Alexandra Ya and Kotova, Oxana V and Vaschenko, Andrei A and Lepnev, Leonid S and Bagatur’yants, Alexander A and Vitukhnovskiy, Alexei G and Stepanov, Nickolai F and Alfimov, Michael V
Inorganic chemistry, ISSN 0020-1669, 12/2009, Volume 48, Issue 23, pp. 11123 - 11130
Physical Sciences | Chemistry, Inorganic & Nuclear | Chemistry | Science & Technology | Thermodynamics | Quantum Theory | Spectrophotometry, Infrared | Models, Chemical | Schiff Bases - chemistry | Models, Molecular | Crystallography, X-Ray | Ligands | Organometallic Compounds - chemistry | Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization | Zinc - chemistry | Electrons | Index Medicus
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