Theoretical study of hydrogen abstraction from dimethyl ether and methyl tert-butyl ether by hydroxyl radicalElectronic supplementary information (ESI) available: optimized structural parameters, energies, zero point energies and dipole moments for reactants, products, and transition states (Tables S1–8). See http://www.rsc.org/suppdata/cp/b1/b109970c/

F. Atadinç; C. Selçuki; L. Sari; V. Aviyente

doi:10.1039/b109970c

Theoretical study of hydrogen abstraction from dimethyl ether and methyl tert-butyl ether by hydroxyl radicalElectronic supplementary information (ESI) available: optimized structural parameters, energies, zero point energies and dipole moments for reactants, products, and transition states (Tables S1–8). See http://www.rsc.org/suppdata/cp/b1/b109970c/

Physical Chemistry Chemical Physics ◽

10.1039/b109970c ◽

2002 ◽

Vol 4 (10) ◽

pp. 1797-1806 ◽

Cited By ~ 18

Author(s):

F. Atadinç ◽

C. Selçuki ◽

L. Sari ◽

V. Aviyente

Keyword(s):

Dimethyl Ether ◽

Theoretical Study ◽

Dipole Moments ◽

Structural Parameters ◽

Hydrogen Abstraction ◽

Transition States ◽

Zero Point ◽

Supplementary Information ◽

Methyl Tert Butyl Ether ◽

Butyl Ether

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Kinetics of OH Radical Reactions with Methane in the Temperature Range 295−660 K and with Dimethyl Ether and Methyl-tert-butyl Ether in the Temperature Range 295−618 K

The Journal of Physical Chemistry A ◽

10.1021/jp012425t ◽

2002 ◽

Vol 106 (17) ◽

pp. 4384-4389 ◽

Cited By ~ 45

Author(s):

Amélie Bonard ◽

Véronique Daële ◽

Jean-Louis Delfau ◽

Christian Vovelle

Keyword(s):

Dimethyl Ether ◽

Radical Reactions ◽

Methyl Tert Butyl Ether ◽

Oh Radical ◽

Butyl Ether ◽

Temperature Range ◽

Tert Butyl ◽

Kinetics Of

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Theoretical Study of Thermodynamic Properties of Liquid Methyl Tert-Butyl Ether (MTBE) Using Ab Initio Calculations and Monte Carlo Simulation

Revista Processos Químicos ◽

10.19142/rpq.v9i18.321 ◽

2015 ◽

Vol 9 (18) ◽

pp. 271-273

Author(s):

Luciene Borges Silva ◽

Luiz Carlos Gomide Freitas

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Thermodynamic Properties ◽

Ab Initio Calculations ◽

Ab Initio ◽

Theoretical Study ◽

Methyl Tert Butyl Ether ◽

Butyl Ether ◽

Tert Butyl

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Gas chromatographic determination of dimethyl ether in a mixture containing propane, C4 hydrocarbons, n-pentane, methyl tert.-butyl ether and methanol

Journal of Chromatography A ◽

10.1016/s0021-9673(00)94831-3 ◽

1986 ◽

Vol 367 ◽

pp. 195-200 ◽

Cited By ~ 2

Author(s):

J.K. Lin ◽

R.L. Hendrickson ◽

M.R. Ladisch

Keyword(s):

Dimethyl Ether ◽

Chromatographic Determination ◽

Methyl Tert Butyl Ether ◽

Butyl Ether ◽

Tert Butyl

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Theoretical study on mechanisms of the high-temperature reactions C2H3 + H2O and C2H4 + OHElectronic supplementary information (ESI) available: Figures of optimized geometries of the fragments of C2H5O radicals, C2H5O isomers and C2H5O transition states and table of harmonic vibration frequencies of C2H3, H2O, TSR/P1, C2H4 and OH. See http://www.rsc.org/suppdata/cp/b1/b109758j/

Physical Chemistry Chemical Physics ◽

10.1039/b109758j ◽

2002 ◽

Vol 4 (6) ◽

pp. 1021-1027 ◽

Cited By ~ 13

Author(s):

Gui-xia Liu ◽

Yi-hong Ding ◽

Ze-sheng Li ◽

Qiang Fu ◽

Xu-ri Huang ◽

...

Keyword(s):

High Temperature ◽

Theoretical Study ◽

Transition States ◽

Harmonic Vibration ◽

Supplementary Information ◽

Vibration Frequencies ◽

High Temperature Reactions ◽

Optimized Geometries

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EPR and modelling studies of hydrogen-abstraction reactions relevant to polyolefin cross-linking and grafting chemistryElectronic supplementary information (ESI) available: computed 3D structures of the transition states of hydrogen abstraction from 2,4-dimethylpentane by tert-butoxyl radical. “1 ry24dmp.pdb”: H-abstraction from the methyl group (to generate a primary radical). “2ry24dmp.pdb”: H-abstraction from the central methylene group (to generate a secondary radical). “3 ry24dmp.pdb”: H-abstraction from the methine group (to generate a tertiary radical). See http://www.rsc.org/suppdata/ob/b2/b212543a/

Organic & Biomolecular Chemistry ◽

10.1039/b212543a ◽

2003 ◽

Vol 1 (7) ◽

pp. 1181-1190 ◽

Cited By ~ 26

Author(s):

Susana Camara ◽

Bruce C. Gilbert ◽

Robert J. Meier ◽

Martin van Duin ◽

Adrian C. Whitwood

Keyword(s):

Hydrogen Abstraction ◽

Transition States ◽

Supplementary Information ◽

Cross Linking ◽

Methyl Group ◽

Primary Radical ◽

3D Structures ◽

Modelling Studies ◽

Secondary Radical ◽

Methylene Group

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METHYL TERT- BUTYL ETHER OCCURRENCE AND DEGRADATION IN WATER

Environmental Engineering and Management Journal ◽

10.30638/eemj.2007.020 ◽

2007 ◽

Vol 6 (2) ◽

pp. 143-151 ◽

Cited By ~ 3

Author(s):

Ilie Siminiceanu

Keyword(s):

Methyl Tert Butyl Ether ◽

Butyl Ether ◽

Tert Butyl

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Laboratory Method for Analysis of Small Concentrations of Methyl tert-Butyl Ether and Other Ether Gasoline Oxygenates in Water

Fact Sheet ◽

10.3133/fs08698 ◽

1998 ◽

Cited By ~ 4

Author(s):

Donna L. Rose ◽

Brooke F. Connor ◽

Sonja R. Abney ◽

Jon W. Raese

Keyword(s):

Laboratory Method ◽

Methyl Tert Butyl Ether ◽

Butyl Ether ◽

Tert Butyl ◽

Gasoline Oxygenates

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Theoretical study of hydrogen abstraction from quadricyclane by small radicals

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2021.113232 ◽

2021 ◽

Vol 1200 ◽

pp. 113232

Author(s):

Wen-Hui Kong ◽

Yi-Wei Li ◽

Jing-Bo Wang ◽

Xiang-Yuan Li

Keyword(s):

Theoretical Study ◽

Hydrogen Abstraction

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Transformation of an Embedded Five-Membered Ring in Polycyclic Aromatic Hydrocarbons via the Hydrogen-Abstraction–Acetylene-Addition Mechanism: A Theoretical Study

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c00900 ◽

2021 ◽

Author(s):

Alexander S. Semenikhin ◽

Anna S. Savchenkova ◽

Ivan V. Chechet ◽

Sergey G. Matveev ◽

Michael Frenklach ◽

...

Keyword(s):

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Theoretical Study ◽

Hydrogen Abstraction ◽

Membered Ring ◽

Polycyclic Aromatic

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Increasing the performance of asymmetric pervaporation membranes for the separation of methanol/methyl‐tert‐butyl ether mixtures by the introduction of sulfonated polyimide into the poly(amide‐imide) matrix

Journal of Applied Polymer Science ◽

10.1002/app.49982 ◽

2020 ◽

Vol 138 (10) ◽

pp. 49982

Author(s):

Denis Andzheevich Sapegin ◽

Galina Nikolaevna Gubanova ◽

Elena Nikolaevna Popova ◽

Svetlana Viktorovna Kononova

Keyword(s):

Methyl Tert Butyl Ether ◽

Butyl Ether ◽

Tert Butyl ◽

Sulfonated Polyimide

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