doi:10.48130/prkm-0025-0028

[1]

Milyushkin AL, Karnaeva AE. 2023. Unsymmetrical dimethylhydrazine transformation products: a review. Science of The Total Environment 891:164367

doi: 10.1016/j.scitotenv.2023.164367

[2]

Zheng M, Zhang X. 2025. Insights into the NO removal mechanism by hydrazine. Progress in Reaction Kinetics and Mechanism 50:e003

doi: 10.48130/prkm-0025-0003

[3]

Liu D, Zhang L, Zhang P. 2025. Ab inito chemical kinetics modeling of liquid-phase reactions of monomethylhydrazine and nitrogen tetroxide. The Journal of Physical Chemistry A 129:4148−4161

doi: 10.1021/acs.jpca.5c00893

[4]

Cheng Y, Mao Q, Shi B, Hou X. 2025. A detailed kinetic model for the pyrolysis and oxidation of monomethylhydrazine. Combustion and Flame 279:114328

doi: 10.1016/j.combustflame.2025.114328

[5]

Diévart P, Catoire L. 2020. Contributions of experimental data obtained in concentrated mixtures to kinetic studies: application to monomethylhydrazine pyrolysis. The Journal of Physical Chemistry A 124:6214−6236

doi: 10.1021/acs.jpca.0c03144

[6]

Hu HB, Chen HY, Yan Y, Zhang F, Yin JH, et al. 2021. Investigation of chemical kinetic model for hypergolic propellant of monomethylhydrazine and nitrogen tetroxide. Journal of Energy Resources Technology 143:062304

doi: 10.1115/1.4048593

[7]

Sun H, Law CK. 2007. Thermochemical and kinetic analysis of the thermal decomposition of monomethylhydrazine: an elementary reaction mechanism. The Journal of Physical Chemistry A 111:3748−3760

doi: 10.1021/jp067591l

[8]

Sun H, Vaghjiani GL, Law CK. 2020. Ab Initio kinetics of methylamine radical thermal decomposition and H-abstraction from monomethylhydrazine by H-atom. The Journal of Physical Chemistry A 124:3747−3753

doi: 10.1021/acs.jpca.0c02389

[9]

Tang Y, Lu C, Han Z, Zhai F, Fu Z. 2019. Theoretical investigations on mechanisms and kinetics of OH + (CH₃)₂NNH₂ reaction in the atmosphere. Theoretical Chemistry Accounts 138:45

doi: 10.1007/s00214-019-2433-2

[10]

Wang L, Zhao Y, Wen J, Zhang J. 2012. Mechanisms and kinetics of hydrogen abstraction of methylhydrazine and deuterated methylhydrazine with H/D atoms. Theoretical Chemistry Accounts 132:1321

doi: 10.1007/s00214-012-1321-9

[11]

Kanno N, Kito T. 2020. Theoretical study on the hydrogen abstraction reactions from hydrazine derivatives by H atom. International Journal of Chemical Kinetics 52:548−555

doi: 10.1002/kin.21370

[12]

Kanno N, Tani H, Daimon Y, Terashima H, Yoshikawa N, et al. 2015. Computational study of the rate coefficients for the reactions of NO₂ with CH₃NHNH, CH₃NNH₂, and CH₂NHNH₂. The Journal of Physical Chemistry A 119:7659−7667

doi: 10.1021/acs.jpca.5b00987

[13]

Bai J, Liu D, Zhang L, Zhang P. 2024. Theoretical study of the second- and third-H-abstraction reactions of monomethylhydrazine and nitrogen dioxide and its application to hypergolic ignition modeling. Combustion and Flame 268:113617

doi: 10.1016/j.combustflame.2024.113617

[14]

Zhang Y, Fang Q, Han S, Fang J, Li W. 2025. Ab initio kinetic study on the unimolecular decomposition and H-abstraction reactions of unsym-dimethylhydrazine. Progress in Reaction Kinetics and Mechanism submitted

[15]

Zhao Y, Truhlar DG. 2008. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals. Theoretical Chemistry Accounts 120:215−241

doi: 10.1007/s00214-007-0310-x

[16]

Schäfer A, Huber C, Ahlrichs R. 1994. Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr. The Journal of Chemical Physics 100:5829−5835

doi: 10.1063/1.467146

[17]

Bao JL, Zheng J, Alecu IM, Lynch BJ, Zhao Y, et al. n.d. Database of Frequency Scale Factors for Electronic Model Chemistries (Version 3 Beta 2). https://comp.chem.umn.edu/freqscale/version3b2.htm

[18]

Martin JML. 1996. Ab initio total atomization energies of small molecules − towards the basis set limit. Chemical Physics Letters 259:669−678

doi: 10.1016/0009-2614(96)00898-6

[19]

Lee TJ, Taylor PR. 1989. A diagnostic for determining the quality of single-reference electron correlation methods. International Journal of Quantum Chemistry 36:199−207

doi: 10.1002/qua.560360824

[20]

Frisch MJ, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, et al. 2013. Gaussian 09, Revision D. 01. Wallingford CT: Gaussian, Inc

[21]

Andersson K, Malmqvist PÅ, Roos BO. 1992. Second-order perturbation theory with a complete active space self-consistent field reference function. The Journal of Chemical Physics 96:1218−1226

doi: 10.1063/1.462209

[22]

Bai J, Liu D, Zhang L, Zhou L, Zhang P. 2025. Towards hypergolic ignition modeling of monomethylhydrazine and nitrogen dioxide: Ab initio chemical kinetics of CH₃NH/CH₂NH₂/CH₂NH and nitrogen dioxide. Combustion and Flame 275:114034

doi: 10.1016/j.combustflame.2025.114034

[23]

Halkier A, Klopper W, Helgaker T, Jørgensen P, Taylor PR. 1999. Basis set convergence of the interaction energy of hydrogen-bonded complexes. The Journal of Chemical Physics 111:9157−9167

doi: 10.1063/1.479830

[24]

Klippenstein SJ, Cline JI. 1995. Classical phase space theory for product state distributions with application to the v–j vector correlation. The Journal of Chemical Physics 103:5451−5460

doi: 10.1063/1.470529

[25]

Cavallotti C, Pelucchi M, Georgievskii Y, Klippenstein SJ. 2019. EStokTP: electronic structure to temperature- and pressure-dependent rate constants − a code for automatically predicting the thermal kinetics of reactions. Journal of Chemical Theory and Computation 15:1122−1145

doi: 10.1021/acs.jctc.8b00701

[26]

Miller JA, Klippenstein SJ. 2006. Master equation methods in gas phase chemical kinetics. The Journal of Physical Chemistry A 110:10528−10544

doi: 10.1021/jp062693x

[27]

East ALL, Radom L. 1997. Ab initio statistical thermodynamical models for the computation of third-law entropies. The Journal of Chemical Physics 106:6655−6674

doi: 10.1063/1.473958

[28]

Eckart C. 1930. The penetration of a potential barrier by electrons. Physical Review 35:1303−1309

doi: 10.1103/PhysRev.35.1303

[29]

Mourits FM, Rummens FHA. 1977. A critical evaluation of Lennard–Jones and Stockmayer potential parameters and of some correlation methods. Canadian Journal of Chemistry 55:3007−3020

doi: 10.1139/v77-418

[30]

Georgievskii Y, Miller JA, Burke MP, Klippenstein SJ. 2013. Reformulation and solution of the master equation for multiple-well chemical reactions. The Journal of Physical Chemistry A 117:12146−12154

doi: 10.1021/jp4060704

[31]

Sun H, Zhang P, Law CK. 2012. Ab initio kinetics for thermal decomposition of CH₃N•NH₂, cis-CH₃NHN•H, trans-CH₃NHN•H, and C•H₂NNH₂ Radicals. The Journal of Physical Chemistry A 116:8419−8430

doi: 10.1021/jp3045675

[32]

Vaghjiani GL, Sun H, Chambreau SD. 2020. Experimental and theoretical investigations of the radical–radical reaction: N₂H₃ + NO₂. The Journal of Physical Chemistry A 124:10434−10446

doi: 10.1021/acs.jpca.0c07985