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The Journal of Physical Chemistry. A
|
October 1, 2015
A Database of Formation Enthalpies of Nitrogen Species by Compound Methods (CBS-QB3, CBS-APNO, G3, G4)
John M Simmie
The Journal of Physical Chemistry. A
|
April 13, 2012
Kinetics and thermochemistry of 2,5-dimethyltetrahydrofuran and related oxolanes: next next-generation biofuels
John M Simmie
The Journal of Physical Chemistry. A
|
February 3, 2022
C<sub>2</sub>H<sub>5</sub>NO Isomers: From Acetamide to 1,2-Oxazetidine and Beyond
John M Simmie
Physical Chemistry Chemical Physics : PCCP
|
January 20, 2018
Barriometry - an enhanced database of accurate barrier heights for gas-phase reactions
Bun Chan, John M Simmie
The Journal of Physical Chemistry. A
|
September 26, 2024
Chemical Bond Energies of Organic Peroxides: From CH<sub>3</sub>OOCH<sub>3</sub> to High-Molecular-Weight Industrially Significant Compounds
Judith Würmel, John M Simmie
The Journal of Physical Chemistry. A
|
November 6, 2012
High-level ab initio enthalpies of formation of 2,5-dimethylfuran, 2-methylfuran, and furan
David Feller, John M Simmie
Physical Chemistry Chemical Physics : PCCP
|
November 28, 2024
Kinetics of tautomerisation of thiouracils and cognate species at low temperatures: theory <i>versus</i> experiment
Judith Wurmel, John M Simmie
The Journal of Physical Chemistry. A
|
June 15, 2023
Peptide Bonds in the Interstellar Medium: Facile Catalytic Formation from Nitriles on Water-Ice Grains
Boutheïna Kerkeni, John M Simmie
The Journal of Physical Chemistry. A
|
April 13, 2010
Hydrogen abstraction from n-butanol by the hydroxyl radical: high level ab initio study of the relative significance of various abstraction channels and the role of weakly bound intermediates
Jerzy Moc, John M Simmie
Journal of Computational Chemistry
|
November 3, 2009
Barrier heights for H-atom abstraction by H*O2 from n-butanol--a simple yet exacting test for model chemistries?
Gráinne Black, John M Simmie
Page
of 4
Search research articles
Search
Showing results (1-10 of 39) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry. A
|
October 1, 2015
A Database of Formation Enthalpies of Nitrogen Species by Compound Methods (CBS-QB3, CBS-APNO, G3, G4)
John M Simmie
The Journal of Physical Chemistry. A
|
April 13, 2012
Kinetics and thermochemistry of 2,5-dimethyltetrahydrofuran and related oxolanes: next next-generation biofuels
John M Simmie
The Journal of Physical Chemistry. A
|
February 3, 2022
C<sub>2</sub>H<sub>5</sub>NO Isomers: From Acetamide to 1,2-Oxazetidine and Beyond
John M Simmie
Physical Chemistry Chemical Physics : PCCP
|
January 20, 2018
Barriometry - an enhanced database of accurate barrier heights for gas-phase reactions
Bun Chan, John M Simmie
The Journal of Physical Chemistry. A
|
September 26, 2024
Chemical Bond Energies of Organic Peroxides: From CH<sub>3</sub>OOCH<sub>3</sub> to High-Molecular-Weight Industrially Significant Compounds
Judith Würmel, John M Simmie
The Journal of Physical Chemistry. A
|
November 6, 2012
High-level ab initio enthalpies of formation of 2,5-dimethylfuran, 2-methylfuran, and furan
David Feller, John M Simmie
Physical Chemistry Chemical Physics : PCCP
|
November 28, 2024
Kinetics of tautomerisation of thiouracils and cognate species at low temperatures: theory <i>versus</i> experiment
Judith Wurmel, John M Simmie
The Journal of Physical Chemistry. A
|
June 15, 2023
Peptide Bonds in the Interstellar Medium: Facile Catalytic Formation from Nitriles on Water-Ice Grains
Boutheïna Kerkeni, John M Simmie
The Journal of Physical Chemistry. A
|
April 13, 2010
Hydrogen abstraction from n-butanol by the hydroxyl radical: high level ab initio study of the relative significance of various abstraction channels and the role of weakly bound intermediates
Jerzy Moc, John M Simmie
Journal of Computational Chemistry
|
November 3, 2009
Barrier heights for H-atom abstraction by H*O2 from n-butanol--a simple yet exacting test for model chemistries?
Gráinne Black, John M Simmie
Page
of 4