Keywords: Chloromethyl radical; Acetylene; Chloroallyl; Kinetics; Chemical activation; RRKM;
مقالات ISI (ترجمه نشده)
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Keywords: Kinetic energy release distributions; RRKM; Spherical potentials; Detailed balance;
Keywords: Methyl acetate; RRKM; Master equation; Low-temperature oxidation; Biodiesel;
Keywords: Vinyl radical; Hydroxyl radical; C2H3; OH; Kinetics; Recombination; RRKM;
Comparison of the rate constants of a bimolecular reaction using two methods
Keywords: Rate constant; RRKM; Vibrational mode analysis;
Keywords: CH3O2; H; Reaction mechanisms; Rate constant; RRKM;
Keywords: CH3O2; I; Reaction mechanism; PES; RRKM;
Keywords: PAH formation; First C-ring; Propargyl; 1,3-Butadiene; RRKM; CBS-QB3;
Keywords: Ozone; Reaction mechanism; RRKM; UV-Vis spectra; IR spectra;
Computational study on the mechanisms and kinetics of the CH2â¯=â¯CHCH2F with O(3P) reaction
Keywords: CH2â¯=â¯CHCH2F; O(3P); Reaction mechanism; PES; RRKM;
Kinetic modeling for unimolecular β-scission of the methoxymethyl radical from quantum chemical and RRKM analyses
Keywords: β-scission; Methoxymethyl radical; RRKM; Kinetic model;
Mechanistic and kinetic study on the reaction of Pyrrole (C4H5N) with O(3P)
Keywords: Pyrrole; O(3P); Reaction mechanisms; RRKM; Rate constant;
Mechanism and selectivity of Xâ + CH3ONO2 (X = NCCH2, CH3C(O)CH2, and PhCH2) multichannel gas phase reactions
Keywords: Energy profiles; Product branching ratios; SN2 and ECO2; RRKM; Quantum chemistry; Selectivity;
A computational study of the Diels-Alder reactions between 2,3-dibromo-1,3-butadiene and maleic anhydride
Keywords: Diels-Alder reaction; Maleic anhydride; 2,3-Dibromo-1,3-butadiene; DFT; RRKM;
Mechanistic and kinetic study on the reaction of atomic O(3P) with CH3CCCl
Keywords: CH3CCCl; O(3P); PES; Mechanisms; Rate constant; RRKM;
Theoretical study of the pressure dependent rate constants of the thermal decomposition of β-propiolactone
Keywords: Unimolecular reaction; Fall-off pressure; Thermal decomposition; RRKM
Kinetical and thermodynamical analysis of the reactivity of thiourea by association to Ca2+
Keywords: Dications; Calcium; Urea; Thiourea; RRKM; Kinetics;
New approach for studying slow fragmentation kinetics in FT-ICR: Surface-induced dissociation combined with resonant ejection
Keywords: Surface-induced dissociation; RRKM; Resonant ejection; Energy deposition function; FT-ICR; Peptide fragmentation;
On the kinetics of the C5H5 + C5H5 reaction
Keywords: Cyclopentadienyl radical; Naphthalene; Master equation; RRKM; Ab initio
Energy and entropy at play in competitive dissociations: The case of uneven positional dissociation of ionized triacylglycerides
Keywords: Triacylglyceride; Ammonium adduct; CID; Fragmentation; RRKM; Mass spectrometry;
Investigating the relationship between the gas-phase conformations and dissociation energetics of peptide–saccharide complexes
Keywords: Non-covalent complex; RRKM; Ion mobility spectrometry; Molecular dynamics; Kinetic capillary electrophoresis
The influence of fragment size and intermediate barriers on competing near-identical simple cleavage reactions: A variational RRKM study
Keywords: Unimolecular fragmentation; Variational transition state theory; Transition state switching; Amine alpha-cleavage; RRKM;
Quantum chemical and RRKM/master equation studies of cyclopropene ozonolysis
Keywords: Cyclopropene; Ozonolysis; CBS-QB3; Atmospheric chemistry; RRKM; Master equation;
Metastable dissociative decay of fluorofullerene negative ions
Keywords: Fluorofullerene; Resonant electron capture mass spectrometry; Autodetachment; Metastable negative ion; RRKM; Kinetic shift;
Thermal rate constants of the pyrolysis of n-Heptane
Keywords: n-Heptane; Pyrolysis; Rate coefficients; RRKM
Pressure- and temperature-dependent combustion reactions
Keywords: Master equation; Pressure-dependent; RRKM; Energy transfer; MultiWell
On the chemical kinetics of cyclopentadiene oxidation
Keywords: 1; 1.1; 1.2; 1.4Kinetics; Cyclopentadienyl; RRKM; Oxidation; ab initio
Statistical description of metastable negative ions' decay
Keywords: Metastable ion; RRKM; Resonant electron capture;
Transition state ring sizes in H-transfers in closed shell aliphatic cations
Keywords: H-transfer isomerizations; Closed shell cations; Intrinsic reaction cocodinate; Ring sizes; RRKM;
Decomposition of acetaldehyde: Experiment and detailed theory
Keywords: Acetaldehyde; Decomposition; RRKM; Chain-mechanism
Fragmentations of singly charged ethanol cation: An ab initio/RRKM study
Keywords: Singly charged ethanol radical cation; Anharmonic frequencies; Theoretical study; Fragmentation; RRKM;