Search for author: B.F. Minaev

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1.

Dioxygen spectra and bioactivation B.F. Minaev, N. Arul Murugan and H. Ågren Int. J. Quant. Chem. DOI: 10.1002/qua.24390 (2013) DOI: 10.1002/qua.24390

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2.

The FTIR spectra of substituted tetraoxa[8]circulenes and their assignments based on DFT calculations V.A. Minaeva, B.F. Minaev, G.V. Baryshnikov, O.M. Romeyko and M. Pittelkow Vibrational Spectroscopy 65, 147 (2013)

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3.

Application of Bader's Atoms in Molecules Theory to the Description of Coordination Bonds in the Complex Compounds of Ca2+ and Mg2+ with Methylidene Rhodanine and Its Anion. G.V. Baryshnikov, B.F. Minaev, V.A. Minaeva, A.T. Podgornaya and H. Ågren Russian Journal of General Chemistry, 82, 1254 (2012)

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4.

DFT and QTAIM study of the tetra-tert-butyltetraoxa[8]circulene regioisomers structure G.V. Baryshnikov, B.F. Minaev, V.A. Minaeva, A.T. Baryshnikova and M. Pittelkow J. Molecular Structure 1026, 127 (2012)

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5.

Experimental and theoretical study of IR and Raman spectra of tetraoxa[8]circulenes V. A. Minaeva, B.F. Minaev, G.V. Baryshnikov, H. Ågren and M. Pittelkow Vibrational Spectroscopy, 156, 61 (2012)

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6.

Density Functional Theory Study of Photophysical Properties of Iridium(III) Complexes with Phenylisoquinoline and Phenylpyridine Ligands X. Li, B.F. Minaev, H. Ågren and H. Tian J. Phys. Chem. C 115 (2011) 20724-20731 DOI: 10.1021/jp206279g

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7.

Electronic structure and spectral properties of the triarylamine dithienosilole dyes for efficient organic solar cells B.F. Minaev, G.V. Baryshnikov and V.A. Minaeva Dyes and Pigments 92, 531 (2011)

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8.

Organometallic Materials for Electroluminescent and Photovoltaic Devices B.F. Minaev, L. Xi, Z.J. Ning, H. Tian and H. Ågren Book Chapter in Organic Light Emitting Diode - Material, Process and Devices", INTECH Open Access Publisher, Editor A. Lazinica, 2011

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9.

Theoretical Study of Phosphorescence of Iridium Complexes with Fluorine-Substituted Phenylpyridine Ligands X. Li, B.F. Minaev, Y. Tu, H. Ågren and H. Tian Eur. J. Inorg. Chem. (2011) 2517-2524 DOI: 10.1002/ejic.201100084

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10.

Theoretical Study of Vibration Spectra of Sensitizing Dyes for Photoelectrical Converters Based on Ruthenium(II) and Iridium(III) Complexes B.F. Minaev, V.A. Minaeva, G.V. Baryshnikov, M A. Girtu and H. Ågren Russian Journal of Applied Chemistry, 2009, 82, 1211 DOI: 10.1134/S1070427209070106

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11.

Possible electronic mechanisms of generation and quenching of luminescence of singlet oxygen in the course of photodynamic therapy: ab initio study. B.F. Minaev and L.B. Yashchuk Biopolymers and Cell, 22, 231-235, 2006

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12.

Study of singlet-triplet transitions in the ozone molecule using the multiconfigurational self-consistent field theory B.F. Minaev and E.M. Khomenko High Energy Chemistry, 40, 230-233 (2006)

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13.

Calculation of properties of the ozone molecule by the multiconfigurational self-consistent field method B.F. Minaev and E.M. Khomenko Journal of Applied Spectroscopy, 72, 781-785 (2005)

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14.

Indirect effect of invironment molecules on the sensitized luminescence of oxygen. B.F. Minaev and G.I. Kobzev Russian Journal of Physical Chemistry, 79, S166-S171, 2005

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15.

Ab initio study of the ground state properties of molecular oxygen B.F. Minaev Spectrochimica Acta. Prat A, 60, (2004) 1027-1041

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16.

Spin transition during H2O2 formation in the oxidative half-reaction of Copper Amine 0xidases R. Prabhakar, P.E.M. Siegbahn, B.F. Minaev and H. Ågren J. Phys. Chem. B, 108 (2004) 13882-13892

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17.

A theoretical study of the dioxygen activation by glucose oxidase and by copper amine oxidase R. Prabhakar, P.E.M. Siegbahn and B.F. Minaev Biochim. et Biophys. Acta (BBA)- Bioenergetics, 1647: 173-178, 2003

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18.

Response calculations of electronic and vibrational transitions in molecular oxygen induced by interaction with noble gases B.F. Minaev and G.I. Kobzev Spectrochimica Acta. Prat A, 59, 3387-3410 (2003)

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19.

Activation of Triplet Dioxygen by Glucose Oxidase. Spin-Orbit Coupling in the Superoxide Ion. R. Prabhakar, P.E.M. Siegbahn, B.F. Minaev and H. Ågren J. Phys. Chem. B 106, 3742 (2002).

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20.

MCSCF linear response study of the three-body dissociative recombination CH2+ + e = C + 2H B.F. Minaev and M. Larsson Chemical Physics, 280, 15-30, 2002 Attached: science.ps

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21.

Ab initio calculation of the ground and excited states of the BrO- molecule B.F. Minaev, E.M. Homenko and E.L.Bilan Russian J. Mol. Structure, 42, 490, 2001

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22.

Ab initio calculation of the three-body C2 + H + H dissociative channel of acetylene. A.M. Derkatch, B.F. Minaev and M. Larsson Abstr. Pap. Am. Chem. S 222: U220, Part 2, 2001

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23.

Ab initio calculation of transition moments for transitions between valence states of oxygen molecule B.F. Minaev and L.G. Telyatnik Opt. Spectrosc. 91, 883-890, 2001

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24.

Dissociative Recombination of HCNH+, Absolute Cross Sections and Branching Ratios J. Semaniak, B.F. Minaev, S. Derkach and M. Larsson Astrophys. J. Suppl. Ser., 135: 275-283, 2001

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25.

MCSCF Response Calculations of the Excited States Properties of the O2 Moelcule and a Part of its Spectrum B.F. Minaev and V.A. Minaeva Phys. Chem. Chem. Phys. 3, 720, 2001

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26.

Spin effects in activation of hydrocarbons. The role of triplet states in catalysis. B.F. Minaev J. Mol. Catal. A. Chem., 171: (1-2) 27-56, 2001

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27.

Spin uncoupling in chemical reactions B.F. Minaev and H. Ågren Adv. Quantum Chem., 40: 129-211, Part 2, 2001

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28.

Study of the O2 + H reaction by CI method. B.F. Minaev, O.M. Homenko and O. Loboda. Rus. J.Phys.Chem. 75, 1158-1163, 2001

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29.

The Role of the Triplet Excited State of Hydrocarbons in Catalysis by Transition-Metal Species. B.F. Minaev. Bull. Polish Acad. Sci.: Chem. 49, 27, 2001

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30.

Ab initio study of the singlet-triplet transitions in hypobromous acid B.F. Minaev and H. Ågren THEOCHEM, 492, 53 (1999)

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31.

Corrigendum to Response Theory Calculations of the Singlet-Triplet Transition Probabilities in the HOCl Molecule B.F. Minaev and H. Ågren Chem. Phys. Phys. Chem. 1: 499, 1999.

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32.

MNDO CI study of the nicotin-amide and coferment NAD+ activity B.F. Minaev, I.I. Lyzhenkova, V.A. Minaeva and V.I. Boiko. Theor. Experim. Chem. , 72:1, 1999.

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33.

Organic Photochemical Reactions Controlled by Spin-Orbit Coupling B.F. Minaev and H. Ågren European Photochemical Association Newsletter, 65: 61, 1999

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34.

Spin Uncoupling in Ethylene Activation by Palladium and Platinum Atoms B.F. Minaev and H. Ågren Inter. J. Quantum Chem., 72:581-596 (1999)

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35.

The Singlet Oxygen Absorption to the Upper State of the Schumann-Runge System: the B-a and B-b Transitions Intensity Calculation B.F. Minaev Phys. Chem. Chem. Phys. , 1:3403 (1999)

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36.

The Singlet-Triplet Absorption and Photo-dissociation of the HOCl, HOBr and HOI Molecules Calculated by MCSCF Quadratic Response Method. B.F. Minaev \bf J. Phys. Chem. A, 103:7294, 1999.

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37.

The Singlet-Triplet Transition of the Nitrite-Ion Calculated by MCSCF Quadratic Response Method B.F. Minaev and V.A. Minaeva J. Fluorescence, 72:581, 1999

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38.

Effect of substituents on the energies of excited states of mono-substituted and di-substituted benzenes A.N. Frolov and B.F. Minaev Zh. Org. Khim., 34, 1828-1834, 1998

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39.

Response Theory Calculations of the Singlet-Triplet Transition Probabilities in the HOCl Molecule. B.F. Minaev and H. Ågren. J. Chem. Soc. Faraday Trans., 94: 2061 (1998)

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40.

Spin Uncoupling in Surface Chemisorption of Unsaturated Hydrocarbons. L. Triguero, L.G.M. Pettersson, B.F. Minaev and H. Ågren. J. Chem. Phys., 108: N3, 1193-1205 (1998)

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41.

Account of Spin-Orbit Coupling in Ozonolysis of Olefins. B.F. Minaev and E.M. Kozlo Theor. Experimental Chem., 33:67 (1997)

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42.

Collision-Induced b1Σg+ - a1\Deltag, b1Σg+ - X3σg-, and a1\Deltag- X3Σg transition probabilities in molecular oxygen B.F. Minaev and H. Ågren J. Chem. Soc. Faraday Trans., 93, 2231 (1997).

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43.

Collision induced electronic transitions in complexes between benzene and molecular oxygen. B.F. Minaev, K.V. Mikkelsen and H. Ågren. Chem. Phys. 79, 220 (1997).

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44.

Mechanism of intensity increase of the a-b transition in molecular oxygen under the influence of intermolecular interaction G.I. Kobzev, B.F. Minaev and Z.M. Muldahmetov Optics and Spectroscopy, 83, 66-68 (1997)

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45.

The Role of Spin-Orbit Coupling in Processes of Synthesis and Destruction of Ozone B.F. Minaev and E.M. Kozlo Theor. Experimental Chem., 33:219 (1997)

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46.

A configurational interaction study of the (O2)2 dimer. B.F. Minaev, V.D. Nikolaev and H. Ågren Spectroscopy Letters, 29, 677 (1996).

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47.

Magnetic phosphorescence of molecular oxygen. A study of the b1Σg+ - X3Σg- transition probability using multiconfiguration response theory. B.F. Minaev, O. Vahtras and H. Ågren Chem. Phys. 208, 299 (1996)

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48.

Paramagnetic-exchange spin-catalysis of the cis-trans isomerization of substituted ethylenes. O. Plachkevytch, B.F. Minaev and H. Ågren. J. Phys. Chem., 100, 8308 (1996)

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49.

Character and spectra of triplet states in short polyenes. B.F. Minaev, D. Jonsson, P. Norman and H. Ågren Chem. Phys. 194, 19 (1995).

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50.

Response theory calculations of the Cameron bands of the CO molecule. B.F. Minaev, O. Plachkevytch and H. Ågren. J. Chem. Soc. Faraday Trans., 91, 1729 (1995)

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51.

Spin-catalysis phenomena. B.F. Minaev and H. Ågren Int. J. Quant. Chem. 57, 519 (1995).

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52.

Spin-orbit coupling induced chemical reactivity and spin-catalysis phenomena. B.F. Minaev and H. Ågren Czech. Chem. Comm. 60, 339 (1995).

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53.

The Vegard-Kaplan band and the phosphorescent decay of N2. J. Olsen, B.F. Minaev, O. Vahtras, H. Ågren, P. Jørgensen, H.J. Aa. Jensen and T. Helgaker Chem. Phys. Letters 231, 387 (1995).

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54.

Configuration interaction study of the O2 + C2H4 exciplex. Collision induced probabilities and spin-forbidden radiative and non-radiative transitions. B.F. Minaev, I. Kukeva and H. Ågren Trans. Far. Soc. 90, 1479 (1994)

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55.

On the interpretation of the external heavy atom effect on singlet-triplet transitions. B.F. Minaev, S. Knuts and H. Ågren Chem. Phys. 181, 15 (1994)

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56.

Phosphorescence of aromatic molecules. S. Knuts, H. Ågren and B.F. Minaev J. Mol. Structure, THEOCHEM. 311, 185 (1994).

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57.

Response theory studies of triplet state spectra and radiative lifetimes of naphthalene, quinoxaline, and phthalazine. H. Ågren, B.F. Minaev and S. Knuts J. Phys. Chem. 98, 3943 (1994)

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58.

The interpretation of the Wulf band of ozone B.F. Minaev and H. Ågren Chem. Phys. Letters 217, 531 (1994)

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59.

The phosphorescence of benzene obtained by ab initio and semi-empirical calculations. S. Knuts, B.F. Minaev, H. Ågren and O. Vahtras Theor. Chim. Acta 87, 343 (1994).

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60.

Response theory calculations of the vibronically induced 1A1g -1B2u two-photon spectrum of benzene Y. Luo, H. Ågren, S. Knuts, B.F. Minaev and Jørgensen Chem. Phys.Letters \bf 209, 513 (1993)

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61.

The vibronically induced phosphorescence in benzene B.F. Minaev, S. Knuts, H. Ågren and O. Vahtras Chem. Phys. 175, 245 (1993)

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