Robert J. O'Reilly
机构: Chemistry Department, University of New England
每年引用次数
引用次数
引用: 900
H-指数: 15
I10-指数 : 19
出版物: 41
N-H and N-Cl homolytic bond dissociation energies and radical stabilization energies: An assessment of theoretical procedures through comparison with benchmark-quality W2w data
Robert J. O'reilly , Amir Karton , Leo Radom
International Journal of Quantum Chemistry 112 ( 8) 1862 -1878
30
2012
The Influence of Substituents in Governing the Strength of the PX Bonds of Substituted Halophosphines R 1 R 2 PX (X= F and Cl)
Robert J O'reilly , Amir Karton
Frontiers in Chemistry 11 1283418 -1283418
1
2023
Effect of Substituents in Governing the Homolytic Gas-Phase P–H Bond Dissociation Enthalpies of Phosphine-type Oxides (R1R2P (= O) H)
Robert J O'Reilly , Mannix P Balanay
Chemical Data Collections 101164 -101164
2024
Water-catalyzed proton-transfer reactions: Identification of shortcomings in G2 (MP2)-type procedures
Amir Karton , Robert J O'Reilly , Leo Radom
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244
2012
Oxidative Damage to Biological Systems: A Theoretical Investigation
Robert JC O'Reilly
University of Sydney
2011
Can DFT and ab initio methods describe all aspects of the potential energy surface of cycloreversion reactions
Li-Juan Yu , Farzaneh Sarrami , Robert J. O'Reilly , Amir Karton
Molecular Physics 114 ( 1) 21 -33
15
2016
Model for the Exceptional Reactivity of Peroxiredoxins 2 and 3 with Hydrogen Peroxide A KINETIC AND COMPUTATIONAL STUDY
Péter Nagy , Amir Karton , Andrea Betz , Alexander V. Peskin
Journal of Biological Chemistry 286 ( 20) 18048 -18055
93
2011
Stability of the chlorinated derivatives of the DNA/RNA nucleobases, purine and pyrimidine toward radical formation via homolytic CCl bond dissociation
Laura Kaliyeva , Shingis Zhumagali , Nuriya Akhmetova , Amir Karton
International Journal of Quantum Chemistry 117 ( 4)
5
2017
A dataset of highly accurate homolytic NBr bond dissociation energies obtained by Means of W2 theory
Robert J. O'Reilly , Amir Karton
International Journal of Quantum Chemistry 116 ( 1) 52 -60
23
2016
Homolytic C–Br bond dissociation energies obtained by means of the G4 thermochemical protocol
Zhanna Kazakbayeva , Shingis Zhumagali , Abdulla Mahboob , Robert J. O'Reilly
Chemical Data Collections 2 43 -48
6
2016
Fragmentation of 1,4,2-oxaselenazoles as a route to isoselenocyanates–A high-level CBS-QB3 study
Aigerim Yertisbayeva , Zarina Salkenova , Aliya Sembayeva , Robert J. O'Reilly
Chemical Data Collections 9 98 -103
1
2017
A high-level G4(MP2) thermochemical study of the relative energies of the N-chlorinated isomers formed upon chlorination of cytosine
Dana Stambekova , Robert J. O'Reilly
Chemical Data Collections 220 -228
2017
A dataset of homolytic C–Cl bond dissociation energies obtained by means of W1w theory
Ainash Garifullina , Abdulla Mahboob , Robert J. O'Reilly
Chemical Data Collections 3-4 21 -25
3
2016
Assessment of quantum chemical methods for the calculation of homolytic N–F bond dissociation energies
Nuriya Akhmetova , Laura Kaliyeva , Robert J. O'Reilly
Chemical Data Collections 5-6 28 -35
4
2016
Homolytic SCl bond dissociation enthalpies of sulfenyl chlorides – a high-level G4 thermochemical study
Robert J. O'Reilly , Mannix Balanay
Chemical Data Collections 19 100180
2
2019
A quantum chemical study of the effect of substituents in governing the strength of the S–F bonds of sulfenyl-type fluorides toward homolytic dissociation and fluorine atom transfer
Robert J. O'Reilly , Mannix P. Balanay
Chemical Data Collections 20 100186
1
2019
A quantum chemical study of the gas-phase homolytic S–Br bond dissociation enthalpies of sulfenyl bromides
Shuaiwei Zhu , Robert J. O'Reilly
Chemical Data Collections 28 100430
2020
Intramolecular Proton-Coupled Hydride Transfers with Relatively Low Activation Barriers
Amir Karton , Ben W Greatrex , Robert J O’Reilly
The Journal of Physical Chemistry A 127 ( 27) 5713 -5722
2
2023
Highly accurate CCSD (T) homolytic Al–H bond dissociation enthalpies–chemical insights and performance of density functional theory
Robert J O’Reilly , Amir Karton
Australian Journal of Chemistry 76 ( 12) 837 -846
1
2023
Model for the Exceptional Reactivity of Peroxiredoxins 2 and 3 with Hydrogen Peroxide
Pé ter Nagy , Amir Karton , Andrea Betz , Alexander V Peskin
THE JOURNAL OF BIOLOGICAL CHEMISTRY 286 ( 20) 18048 -18055
2011