Ab initio variational transition state theory and master equation study of the reaction (OH)3SiOCH2 + CH3 ⇌ (OH)3SiOC2H5

Ab initio variational transition state theory and master equation study of the reaction (OH)3SiOCH2 + CH3 ⇌ (OH)3SiOC2H5

In this paper we use variable reaction coordinate variational transition state theory (VRC-TST) to calculate the reaction rate constants for the two reactions, R1: (OH)3SiOCH2 + CH3 ⇌ (OH)3SiOC2H5, and R2: CH2OH + CH3 ⇌ C2H5OH. The first reaction is an important channel during the thermal decomposit...

Saved in:

書目詳細資料
Main Authors:	Nurkowski, Daniel, Klippenstein, Stephen J., Georgievskii, Yuri, Verdicchio, Marco, Jasper, Ahren W., Akroyd, Jethro, Mosbach, Sebastian, Kraft, Markus
其他作者:	School of Chemical and Biomedical Engineering
格式:	Article
語言:	English
出版:	2015
主題:	DRNTU::Science::Medicine::Biomedical engineering
在線閱讀:	https://hdl.handle.net/10356/98118 http://hdl.handle.net/10220/25660
標簽:	添加標簽沒有標簽, 成為第一個標記此記錄!
機構:	Nanyang Technological University
語言:	English

相似書籍

Study of process dependent reliability in SiOC dielectric interconnects and film
由: Mok, T.S., et al.
出版: (2014)

Low dielectric constant a-SiOC:H films as copper diffusion barrier
由: Koh, Y.W., et al.
出版: (2014)

Dependence of leakage mechanisms on dielectric barrier in Cu-SiOC damascene interconnects
由: Ngwan, V.C., et al.
出版: (2014)

Fabrication of polymer-derived SiOC/carbon composites using PμSL
由: Pek, Shaun Yue Zheng
出版: (2023)

Theoretical Study of the Ti–Cl Bond Cleavage Reaction in TiCl4
由: Nurkowski, Daniel, et al.
出版: (2017)

Efect of Al(OH)3 and Mg(OH)2 Suspesion Dosage Form on the Absorption of Oral Ciprofloxacin
由: Budiatin, Aniek Setiya, et al.
出版: (2008)

Studies on the magnetic property of μ3-oxotriiron(III) complex [Fe3O(OBz)6(CH3OH)3](NO3)(CH3OH)2 (HOBz-Benzoic acid)
由: Wang, Guoxiong, et al.
出版: (2012)

Synthesis of alumatrane complexes directly from AL(OH)3 and triisopropanolamine
由: Yukoltorn Opornsawad
出版: (1996)

tert-butoxysilanols as model compounds for labile key intermediates of the sol-gel process: Crystal and molecular structures of (t-BuO)3SiOH and HO[(t-BuO)2SiO]2H
由: Beckmann, J., et al.
出版: (2014)

Fabrication of 90° wall of {100} plane on (100) Si by NaOH solution via design of experiments
由: Chupong Pakpum, et al.
出版: (2018)

Fabrication of 90° wall of {100} plane on (100) Si by NaOH solution via design of experiments
由: Chupong Pakpum, et al.
出版: (2018)

Oh life!
由: Oh, Wen Xin.
出版: (2009)

Catalytic activity of gold-doped oxides for CO and CH3OH oxidation
由: Norsit Sitthiwechvijit
出版: (2001)

Synthesis and characterization of alumatrane complexes directly from Al(OH)3 and triisopropanolamine
由: Verawan Nerapusri
出版: (1998)

Synthesis and characterization of alumatrane complexes directly from Al(OH)3 and triethanolamine
由: Piyanun Boonprasert
出版: (1998)

Oh, to be young forever!
由: Nicolas, Alice Gregorio
出版: (1993)

โปรแกรม “OH SURVEY”
由: เยาวลักษณ์ เงินวิวัฒน์กุล
出版: (2020)

Atomically-thin In(OH)3 nanosheets towards photocatalytic CO2-to-CO conversion
由: Kang, Wei Kiat
出版: (2020)

Density functional calculations for H2 adsorption on Fe(OH) 3 by considering molecular orientation
由: Muhida, Rifki, et al.
出版: (2005)

Reactions of the triosmium cluster Os3(μ-H) (μ-OH)(CO)10 with naphthols
由: Lum, M.W., et al.
出版: (2014)

LBA observations of OH masers in the star-forming region OH 330.953-0.182
由: Kramer B.H., et al.
出版: (2014)

LBA observations of OH masers in the star-forming region OH 330.953-0.182
由: B. Hutawarakorn Kramer, et al.
出版: (2018)

Crystallographic identification of an unusual homoleptic palladium citrate [Na(OH2)6]·{[Na3(OH2) 8]3[NaPd3(C6H4O 7)3]2}·(H2O) stabilised by intermetallic aggregation with sodium and heavy hydration
由: Gunari, P., et al.
出版: (2014)

Effect of Al(OH)2 and Mg (OH)2 Suspension Dosage Form on the Absorption of Oral Ciprofloxacin
由: Budiatin, Aniek Setiya, et al.
出版: (2008)

Optical non-linearity of distorted cubic cage-shaped cluster compounds {MAg3S3[S2P(OCH2CH3) 2]}(S)(Ph3P)3 (M = W, Mo)
由: Wu, X., et al.
出版: (2014)

Au-ZSM-5 catalyses the selective oxidation of CH4 to CH3OH and CH3COOH using O-2
由: Qi, Guodong, et al.
出版: (2022)

NHC/B(OH)3-mediated C3-selective acylation of unprotected monosaccharides: mechanistic insights and toward simpler/greener solutions
由: Jin, Jiamiao, et al.
出版: (2024)

ANALYSIS AND CHARACTERIZATION OF CITRIC ACID PRECIPITATION WITH SETTLING AGENT CA(OH)2, CACO3, AND CACL2
由: Shohwah Adila, Fathia

ANALYSIS AND CHARACTERIZATION OF CITRIC ACID PRECIPITATION WITH SETTLING AGENT CA(OH)2, CACO3, AND CACL2
由: Aulia, Shofwanul

KAJIAN ADSORPSI Pb(II) DENGAN ADSORBEN LIMBAH JERUK TERSAPONIFIKASI Ca(OH)2 DAN NaOH
由: , Iwing Vinisyanti, et al.
出版: (2013)

Ideologi gender dalam rubrik Oh Mama, Oh Papa di Majalah Kartini :: Kajian analisis wacana kritis
由: , AJI, Dwi Cahyono, et al.
出版: (2008)

Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1-x[NH3OH]xZn(HCOO)3
由: Kieslich, G, et al.
出版: (2020)

SINTESIS HIDROKSIKALKON MENGGUNAKAN KATALIS NaOH DAN NaOH+ZrO2 SERTA UJI AKTIVITAS ANTIOKSIDAN
由: , Gian Primahana, et al.
出版: (2012)

High-field multifrequency ESR in the S=52 kagome-lattice antiferromagnet KFe 3(OH) 6(SO 4) 2
由: T. Fujita, et al.
出版: (2018)

Extraction of cationic surfactant templates from mesoporous materials by CH3OH-modified CO2 supercritical fluid
由: Huang, L., et al.
出版: (2014)

OH masers associated with bipolar outflow in ON1
由: S. Nammahachak, et al.
出版: (2018)

Quantum dynamics of the D2 + OH reaction
由: Zhang, D.H., et al.
出版: (2014)

Degradation of methylmercury by OH radicals in natural waters
由: Pehkonen, S.O., et al.
出版: (2014)

Degradation of methylmercury by OH radicals in natural waters
由: Pehkonen, S.O., et al.
出版: (2014)

Question answering system for chemistry—a semantic agent extension
由: Zhou, Xiaochi, et al.
出版: (2024)