Search Results - "Azyazov, V. N"
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1
Functional Relationships between Kinetic, Flow, and Geometrical Parameters in a High-Temperature Chemical Microreactor
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15-11-2018)“…Computational fluid dynamics (CFD) simulations and isothermal approximation were applied for the interpretation of experimental measurements of the C10H7Br…”
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2
Scission of the Five-Membered Ring in 1‑H‑Inden-1-one C9H6O and Indenyl C9H7 in the Reactions with H and O Atoms
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11-07-2019)“…Quantum chemical G3(MP2,CC)//B3LYP/6-311G(d,p) calculations of the C9H7O potential energy surface were utilized to investigate the mechanism of the…”
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3
O2(b1Σg +) Removal by H2, CO, N2O, CH4, and C2H4 in the 300–800 K Temperature Range
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21-06-2018)“…Rate constants for the removal of O2 b1Σg + by collisions with species relevant to combustion, H2, CO, N2O, CH4 and C2H4 have been measured in the temperature…”
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4
Transversely optically pumped Ar:He laser with a pulsed-periodic discharge
Published in Optics express (23-12-2019)“…Optically pumped rare gas lasers have the potential for scaling to high-power cw systems with good beam quality. Metastable atoms of heavier rare gases that…”
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5
Scission of the Five-Membered Ring in 1- H-Inden-1-one C 9 H 6 O and Indenyl C 9 H 7 in the Reactions with H and O Atoms
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11-07-2019)“…Quantum chemical G3(MP2,CC)//B3LYP/6-311G(d,p) calculations of the C H O potential energy surface were utilized to investigate the mechanism of the 1-…”
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6
Mechanism of Formation of Four-Ring Polycyclic Aromatic Hydrocarbons in the Self-Recombination of Indenyl
Published in Combustion, explosion, and shock waves (01-04-2023)“…The geometric structures, vibrational frequencies and relative energies of all reactants, products, intermediates, and transition states involved in the…”
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7
Kinetics of Active Oxygen Species with Implications for Atmospheric Ozone Chemistry
Published in International journal of chemical kinetics (01-02-2015)“…ABSTRACT Photochemical processes involving singlet oxygen (O2(a1Δ)), oxygen atoms, and ozone are critical in determining atmospheric ozone concentrations. Here…”
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8
Formation of Two-ring Polycyclic Aromatic Hydrocarbons via the Recombination of Benzyl and Propargyl Radicals under the Circumstellar Envelopes Conditions of Asymptotic Giant Branch Stars
Published in Astronomy reports (01-09-2022)“…The mechanisms and kinetics of the formation of two-ring polycyclic aromatic hydrocarbons via the recombination of benzyl (C 7 H 7 ) and propargyl (C 3 H 3 )…”
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9
Reaction mechanism, rate constants, and product yields for the oxidation of Cyclopentadienyl and embedded five-member ring radicals with hydroxyl
Published in Combustion and flame (01-01-2018)“…Potential energy surfaces for the C5H5 + OH and C15H9 + OH reactions have been studied by ab initio calculations at the…”
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10
O 2 (b 1 Σ g + ) Removal by H 2 , CO, N 2 O, CH 4 , and C 2 H 4 in the 300-800 K Temperature Range
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21-06-2018)“…Rate constants for the removal of O b Σ by collisions with species relevant to combustion, H , CO, N O, CH and C H have been measured in the temperature range…”
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11
Kinetics of Reactions of 1- and 2‑Naphthyl with Propyne and Allene
Published in Bulletin of the Lebedev Physics Institute (01-03-2020)“…— Quantum-mechanical ab initio calculations are applied to study the growth mechanism of polycyclic aromatic hydrocarbons via reactions of 1- and 2‑naphthyl…”
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12
O 2 (b 1 Σ g + ) Quenching by O 2 , CO 2 , H 2 O, and N 2 at Temperatures of 300-800 K
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05-10-2017)“…Rate constants for the removal of O (b Σ ) by collisions with O , N , CO , and H O have been determined over the temperature range from 297 to 800 K. O (b Σ )…”
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13
O2(b1Σg +) Quenching by O2, CO2, H2O, and N2 at Temperatures of 300–800 K
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05-10-2017)“…Rate constants for the removal of O2(b1Σg +) by collisions with O2, N2, CO2, and H2O have been determined over the temperature range from 297 to 800 K. O2(b1Σg…”
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14
Reaction mechanism, rate constants, and product yields for unimolecular and H-assisted decomposition of 2,4-cyclopentadienone and oxidation of cyclopentadienyl with atomic oxygen
Published in Combustion and flame (01-09-2017)“…Ab initio calculations of potential energy surfaces in conjunction with the RRKM-Master Equation theoretical approach have been employed to evaluate…”
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15
Potential Energy Surface for Oxidation of Indenyl C9H7
Published in Bulletin of the Lebedev Physics Institute (01-10-2018)“…Ab initio calculations were performed to obtain local energy extrema, including an effect of reagents, intermediates, and reaction products on the potential…”
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16
Theoretical Calculation of Products Distribution in the Reaction of Atomic Carbon with Pyridine
Published in Bulletin of the Lebedev Physics Institute (01-10-2018)“…The elementary reaction of atomic carbon C( 3 P) with pyridine C 5 H 5 N is studied using quantum-mechanical calculations of the electronic structure and…”
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17
Quantum-Chemical Calculations of the Primary Reactions of Thermal Decomposition of Cyclopentadienone
Published in Combustion, explosion, and shock waves (2018)“…The geometric structures, vibration frequencies, and energies of the reactants, products, and transition states in the decomposition of C 5 H 4 O were…”
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18
Chemical oxygen-iodine laser with external production of iodine atoms in CH3I/Ar dc glow discharge
Published in Applied physics. B, Lasers and optics (01-10-2010)“…A cw chemical oxygen-iodine laser (COIL) operating in a subsonic mode with a high water content of ∼15% and external production of iodine atoms in CH 3 I/Ar dc…”
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19
Vibrationally Excited Ozone Relaxation by CO
Published in Bulletin of the Lebedev Physics Institute (01-03-2018)“…Time profiles of ozone concentration after pulsed UV laser photolysis in the O 2 - O 3 -Ar-CO mixture, measured using time-resolved absorption spectroscopy,…”
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20
Kinetics of C10H7Br Pyrolysis
Published in Bulletin of the Lebedev Physics Institute (01-10-2018)“…The temperature and pressure-dependent rate constants for the process C 10 H 7 Br ↔ C 10 H 7 +Br were evaluated using the variable reaction coordinate…”
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