Methanediol, or methylene glycol, is a product of the liquid phase reaction of water and formaldehyde and is a predicted interstellar grain surface species. Detection of this molecule in a hot core environment would advance the understanding of complex organic chemistry in the interstellar medium, but its laboratory spectroscopic characterization is a prerequisite for such observational searche...

The present study complements our previous studies of the reactions hydrogen atoms with C5 alkene species including 1- and 2-pentene branched isomers (2-methyl-1-butene, 2-methyl-2-butene, 3-methyl-1-butene), by studying C2–C4 alkenes (ethylene, propene, 2-butene, isobutene). aim current work is to develop a hierarchical set rate constants for Ḣ atom addition C2–C5 alkenes, both linear branched...

چکیده:بازی تاج و تخت نخستین کتاب از مجموعه نغمه‌ی یخ آتش، اثر نویسنده آمریکایی جورج ریموند ریچارد مارتین، داستانی خیالی-حماسی است که در قلمرو "وسترس" رخ می دهد. جریان اصلی داستان، حول محور کشمکش جنگ برای تسلط به سلطنت این راستا داستان‌های دیگری درون آن متولد شوند. آنچه پیرنگ داستان را متمایز می‌کند، وجود آشوب هرج مرج درنظام حکمرانی دنبال رهبری یکپارچه بر جهان بی‌نظم می‌باشد. تحقیق با تمرکز اصول...

The mechanism for the decomposition reaction of ethylamine, CH 3 CH 2 NH 2 , was investigated using high level ab initio and DFT calculations. Optimized geometries were fully optimized at MP2 and B3LYP levels of theory using 6-31G(d) and 6-31+G(d) basis sets. Single point energies were determined at G3MP2B3 and G3B3 levels of theory. Thermodynamics properties, activation energies, enthalpies an...

The dissociation rate constants for hydrogen fluoride dimers are calculated using the YL method, proposed by Yao and Lin (Yao, L.; Mebel, A. M.; Lu, H. F.; Neusser, H. J.; Lin, S. H. J. Phys. Chem. A 2007, 111, 6722). The dividing surface method and RRKM theory are also used to obtain pseudo-transition states and rate constants, respectively. For the dissociation of HF dimers, the anharmonic ra...

Time-resolved kinetic studies of silylene, SiH(2), generated by laser flash photolysis of 1-silacyclopent-3-ene and phenylsilane, have been carried out to obtain rate constants for its bimolecular reactions with methanol, ethanol, 1-propanol, 1-butanol, and 2-methyl-1-butanol. The reactions were studied in the gas phase over the pressure range 1-100 Torr in SF(6) bath gas, at room temperature. ...