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O'Reilly, Robert

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Publication DateTitleAuthor(s)Date Added
128-Jul-2023A Systematic Exploration of B–F Bond Dissociation Enthalpies of Fluoroborane-Type Molecules at the CCSD(T)/CBS LevelO'Reilly, Robert J ; Karton, Amir 21-Mar-2024
213-Jul-2023Intramolecular Proton-Coupled Hydride Transfers with Relatively Low Activation BarriersKarton, Amir ; Greatrex, Ben W ; O'Reilly, Robert J 6-Sep-2023
3Jun-2023A high-level quantum chemical study of the thermodynamics associated with chlorine transfer between N-chlorinated nucleobasesO'Reilly, Robert J ; Karton, Amir 12-Sep-2023
42023A Systematic Exploration of B–F Bond Dissociation Enthalpies of Fluoroborane-Type Molecules at the CCSD(T)/CBS LevelO'Reilly, Robert J ; Karton, Amir 5-Apr-2024
52023Highly accurate CCSD(T) homolytic Al–H bond dissociation enthalpies – chemical insights and performance of density functional theoryO'Reilly, Robert J ; Karton, Amir 11-Sep-2023
623-Dec-2022Homolytic B–Cl bond dissociation energies of chloroborane-type moleculesLu, Wen; O'Reilly, Robert J 8-Apr-2024
72020A quantum chemical study of the gas-phase homolytic S–Br bond dissociation enthalpies of sulfenyl bromidesZhu, Shuaiwei; O'Reilly, Robert 9-Apr-2024
82019Homolytic S-Cl bond dissociation enthalpies of sulfenyl chlorides – a high-level G4 thermochemical studyO'Reilly, Robert ; Balanay, Mannix8-Apr-2024
92019A 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 transferO'Reilly, Robert ; Balanay, Mannix P8-Apr-2024
102017Fragmentation of 1,4,2-oxaselenazoles as a route to isoselenocyanates–A high-level CBS-QB3 studyYertisbayeva, Aigerim; Salkenova, Zarina; Sembayeva, Aliya; O'Reilly, Robert 8-Apr-2024
112017A high-level G4(MP2) thermochemical study of the relative energies of the N-chlorinated isomers formed upon chlorination of cytosineStambekova, Dana; O'Reilly, Robert 8-Apr-2024
122016Homolytic C–Br Bond Dissociation Energies Obtained by Means of the G4 Thermochemical ProtocolKazakbayeva, Zhanna; Zhumagali, Shingis; Mahboob, Abdulla; O'Reilly, Robert 8-Apr-2024
132016A dataset of homolytic C–Cl bond dissociation energies obtained by means of W1w theoryGarifullina, Ainash; Mahboob, Abdulla; O'Reilly, Robert 8-Apr-2024
142016Assessment of quantum chemical methods for the calculation of homolytic N–F bond dissociation energiesAkhmetova, Nuriya; Kaliyeva, Laura; O'Reilly, Robert 8-Apr-2024
158-Sep-2015Reaction barrier heights for cycloreversion of heterocyclic rings: An Achilles’ heel for DFT and standard ab initio proceduresYu, Li-Juan; Sarrami, Farzaneh; O'Reilly, Robert J ; Karton, Amir 12-Sep-2023
162015An assessment of theoretical procedures for π-conjugation stabilisation energies in enonesYu, Li-Juan; Sarrami, Farzaneh; Karton, Amir ; O'Reilly, Robert 8-Apr-2024

Profile

Full Name
O'Reilly, Robert
UNE Researcher ID
une-id:roreill6
 
Position Title
Lecturer in Chemistry
 
Email
 
ORCID
Scopus Author ID
Faculty
Faculty of Science, Ag, Business and Law
Honorific
Dr
 
Surname
O'Reilly
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Given Name
Robert
 
Middle Name
J
School/Department
School of Science & Technology
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