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Ab Initio and Variational Transition State Approach to β-C3N4Formation: Kinetics for the Reaction of CH3NH2with H

https://doi.org/10.1021/jp0531661
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/bbpc.19730770408openalex-snapshot
Die Reaktion von Methylamin mit Wasserstoffatomen
inferredcites →https://doi.org/10.1016/0022-2852(82)90195-3openalex-snapshot
Force field in the methylamine molecule from ab initio MO calculation
inferredcites →https://doi.org/10.1016/0022-2852(90)90292-xopenalex-snapshot
A group-theoretical formalism for the large-amplitude vibration-rotation problem in methylamine-d1
inferredcites →https://doi.org/10.1016/0925-9635(93)90282-7openalex-snapshot
Heteroepitaxial diamond growth on (100) silicon
inferredcites →https://doi.org/10.1016/s0009-2614(00)00273-6openalex-snapshot
Carbon nitride formation in gas-phase reactions of CH4, NH3 and H2: an ab initio study
inferredcites →https://doi.org/10.1016/s0009-2614(00)00322-5openalex-snapshot
Ab initio/Rice–Ramsperger–Kassel–Marcus approach to carbon nitride formation: CH3NH2 decomposition
inferredcites →https://doi.org/10.1016/s0009-2614(97)00174-7openalex-snapshot
Identification of a new CN phase with monoclinic structure
inferredcites →https://doi.org/10.1016/s0009-2614(99)00096-2openalex-snapshot
Direct dynamics study of the reaction path and rate constants of NH2+C2H6→ NH3+C2H5
inferredcites →https://doi.org/10.1021/j100021a026openalex-snapshot
Reliability of the Single-Point Calculation Technique at Characteristic Points of the Potential Energy Surface
inferredcites →https://doi.org/10.1021/j100350a018openalex-snapshot
Ab initio reaction paths and direct dynamics calculations
inferredcites →https://doi.org/10.1021/j100471a031openalex-snapshot
Generalized transition state theory. Classical mechanical theory and applications to collinear reactions of hydrogen molecules
inferredcites →https://doi.org/10.1021/ja00059a041openalex-snapshot
Molecular modeling of the kinetic isotope effect for the [1,5]-sigmatropic rearrangement of cis-1,3-pentadiene
inferredcites →https://doi.org/10.1021/ja01607a027openalex-snapshot
A Correlation of Reaction Rates
inferredcites →https://doi.org/10.1021/jp012730eopenalex-snapshot
Ab Initio and Kinetic Calculations for the Reactions of H with (CH3)(4-n)GeHn (n = 1, 2, 3, 4)
inferredcites →https://doi.org/10.1021/jp961608qopenalex-snapshot
Recalibration of Two Earlier Potential Energy Surfaces for the CH4 + H → CH3 + H2 Reaction. Application of Variational Transition-State Theory and Analysis of the Kinetic Isotope Effects Using Rectilinear and Curvilinear Coordinates
inferredcites →https://doi.org/10.1063/1.364301openalex-snapshot
Evidence of a low compressibility carbon nitride with defect-zincblende structure
inferredcites →https://doi.org/10.1063/1.444297openalex-snapshot
Statistical-diabatic model for state-selected reaction rates. Theory and application of vibrational-mode correlation analysis to OH(nOH)+H2(nHH)→H2O+H
inferredcites →https://doi.org/10.1063/1.461221openalex-snapshot
Interpolated variational transition-state theory: Practical methods for estimating variational transition-state properties and tunneling contributions to chemical reaction rates from electronic structure calculations
inferredcites →https://doi.org/10.1063/1.465401openalex-snapshot
Interpolated variational transition state theory and tunneling calculations of the rate constant of the reaction OH+CH4 at 223–2400 K
inferredcites →https://doi.org/10.1063/1.473119openalex-snapshot
Analytical potential energy surface for the NH3+H↔NH2+H2 reaction: Application of variational transition-state theory and analysis of the equilibrium constants and kinetic isotope effects using curvilinear and rectilinear coordinates
inferredcites →https://doi.org/10.1103/physrevb.41.10727openalex-snapshot
Structural properties and electronic structure of low-compressibility materials: β- Si3 N4 and hypothetical β- C3 N4
inferredcites →https://doi.org/10.1103/physrevb.49.5034openalex-snapshot
Observation of crystalline C3 N4
inferredcites →https://doi.org/10.1103/physrevlett.73.118openalex-snapshot
Carbon Nitride Deposited Using Energetic Species: A Two-Phase System
inferredcites →https://doi.org/10.1111/j.1151-2916.1991.tb07161.xopenalex-snapshot
Carbon–Nitrogen Pyrolyzates: Attempted Preparation of Carbon Nitride
inferredcites →https://doi.org/10.1126/science.245.4920.841openalex-snapshot
Prediction of New Low Compressibility Solids
inferredcites →https://doi.org/10.1126/science.261.5119.334openalex-snapshot
Experimental Realization of the Covalent Solid Carbon Nitride

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4133128openalex-extracted
First Principles Study on C3n4 Intermediate Band Materials
inferred← citeshttps://doi.org/10.2139/ssrn.4191177openalex-extracted
First Principles Study on C3n4 Intermediate Band Materials
inferred← citeshttps://doi.org/10.1002/kin.21760openalex-snapshot
Decomposition of CH3NH2${\rm CH}_3{\rm NH}_2$: Implications for CHx/NHy${\rm CH}_{\rm {\it x}}/{\rm NH}_{\rm {\it y}}$ radical–radical reactions
inferred← citeshttps://doi.org/10.1002/qua.22000openalex-snapshot
Direct dynamics study on the mechanism and the kinetics of the reaction of CH3NH2 with OH
inferred← citeshttps://doi.org/10.1016/j.atmosenv.2010.12.054openalex-snapshot
The chemical mechanism of the limonene ozonolysis reaction in the SOA formation: A quantum chemistry and direct dynamic study
inferred← citeshttps://doi.org/10.1016/j.combustflame.2026.115016openalex-snapshot
A Comprehensive kinetic study on key reactions in monomethylhydrazine combustion and model development
inferred← citeshttps://doi.org/10.1016/j.cplett.2007.02.046openalex-snapshot
Quantum scattering study of the abstraction reactions of H atoms from CH3NH2
inferred← citeshttps://doi.org/10.1016/j.cplett.2017.11.034openalex-snapshot
Hydrogen abstraction from CH3NH2, (CH3) 2 NH, and (CH3) 3 N by H O 2 radicals: A theoretical study
inferred← citeshttps://doi.org/10.1016/j.cplett.2021.138708openalex-snapshot
Accurate reaction barriers and rate constants of H-abstraction from primary, secondary, and tertiary amines by H atom determined with the isodesmic reaction method
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2012.01.004openalex-snapshot
Mechanism and kinetics study on the OH-initiated oxidation of organophosphorus pesticide trichlorfon in atmosphere
inferred← citeshttps://doi.org/10.1021/acs.jpca.6c04204openalex-snapshot
The Reaction Kinetics of H Atoms with Methylamine: Measurements and Theory
inferred← citeshttps://doi.org/10.1021/acsomega.5c09060openalex-snapshot
Thermochemical and Kinetic Investigation of CH 3 NH 2 Production in Titan’s Atmosphere
inferred← citeshttps://doi.org/10.1021/cr050205wopenalex-snapshot
Modeling the Kinetics of Bimolecular Reactions
inferred← citeshttps://doi.org/10.1039/d4cp02187hopenalex-snapshot
Insights into the role of the H-abstraction reaction kinetics of amines in understanding their degeneration fates under atmospheric and combustion conditions
inferred← citeshttps://doi.org/10.1111/maps.12096openalex-snapshot
Hydrogen isotopic substitution of solid methylamine through atomic surface reactions at low temperatures: A potential contribution to the D/H ratio of methylamine in molecular clouds
inferred← citeshttps://doi.org/10.1139/v2012-050openalex-snapshot
Theoretical study on the chemical formation mechanism of a β-myrcene ozonolysis reaction under atmospheric conditions
inferred← citeshttps://doi.org/10.3390/ijms150814153openalex-snapshot
Kinetics and Quantitative Structure—Activity Relationship Study on the Degradation Reaction from Perfluorooctanoic Acid to Trifluoroacetic Acid
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