High-level ab initio characterization of the OH + CH3NH2 reaction

被引：0
|
作者：
Gruber, Balázs [1 ]
Czakó, Gábor [1 ]
机构：
[1] MTA-SZTE Lendület Momentum Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre, Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged,H-6720, Hungary
来源：
Physical Chemistry Chemical Physics | 2024年 / 26卷 / 45期
关键词：
Compendex;
D O I：
10.1039/d4cp01470g
中图分类号：
学科分类号：
摘要：
Substitution reactions
引用
收藏
页码：28543 / 28553
相关论文
共 50 条
  • [41] MINOR DECOMPOSITION CHANNELS OF CH3NH2 AT HIGH-TEMPERATURES
    KLATT, M
    SPINDLER, B
    WAGNER, HG
    ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 1995, 191 : 241 - 249
  • [42] Ab initio studies on reaction H2C=C(OH)Li+CH3+ (CH3-)
    Yigui Wang
    Changjun Sun
    Conghao Deng
    Science in China Series B: Chemistry, 1998, 41 : 587 - 595
  • [43] Theoretical study on the mechanism of CH3NH2 and O3 atmospheric reaction
    SAMIRA VALEHI
    MORTEZA VAHEDPOUR
    Journal of Chemical Sciences, 2014, 126 : 1173 - 1180
  • [44] High-level ab initio calculations on the NiO2 system
    Song, J.
    Apra, E.
    Khalt, Y. G.
    Hoffmann, M. R.
    Kowalski, K.
    CHEMICAL PHYSICS LETTERS, 2006, 428 (4-6) : 277 - 282
  • [45] THE ASSOCIATION REACTIONS OF PB+ ION WITH CH3OH AND CH3NH2 IN THE GAS-PHASE
    GUO, BC
    CASTLEMAN, AW
    INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES, 1990, 100 : 665 - 678
  • [46] The C2H5+O2 reaction mechanism:: High-level ab initio characterizations
    Rienstra-Kiracofe, JC
    Allen, WD
    Schaefer, HF
    JOURNAL OF PHYSICAL CHEMISTRY A, 2000, 104 (44): : 9823 - 9840
  • [47] Is 2-oxabicyclobutane formed during the reaction of peroxyacids with cyclopropene? A high-level ab initio study
    Okovytyy, S
    Gorb, L
    Leszczynski, J
    TETRAHEDRON, 2002, 58 (43) : 8751 - 8758
  • [48] A high-level ab initio study of the photodissociation of acetaldehyde
    Jaddi, A.
    Marakchi, K.
    Zanchet, A.
    Garcia-Vela, A.
    JOURNAL OF CHEMICAL PHYSICS, 2024, 160 (22):
  • [49] An ab initio/RRKM study of the reaction mechanism and product branching ratios of CH3OH+ and CH3OH++ dissociation
    Li, Cuiyu
    Chin, Chih-Hao
    Zhu, Tong
    Zhang, John Zeng Hui
    JOURNAL OF MOLECULAR STRUCTURE, 2020, 1217 (1217)
  • [50] High-level ab initio computational study of doublet and quartet nitrogen reaction with methane
    Jursic, BS
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1999, 71 (06) : 481 - 490
12345