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O'Reilly, Robert

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Publication Date:  [2010 TO 2019]

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Publication DateTitleAuthor(s)Date Added
12019A 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
22019Homolytic S-Cl bond dissociation enthalpies of sulfenyl chlorides – a high-level G4 thermochemical studyO'Reilly, Robert ; Balanay, Mannix8-Apr-2024
32017Fragmentation 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
42017A 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
52016Homolytic C–Br Bond Dissociation Energies Obtained by Means of the G4 Thermochemical ProtocolKazakbayeva, Zhanna; Zhumagali, Shingis; Mahboob, Abdulla; O'Reilly, Robert 8-Apr-2024
62016A dataset of homolytic C–Cl bond dissociation energies obtained by means of W1w theoryGarifullina, Ainash; Mahboob, Abdulla; O'Reilly, Robert 8-Apr-2024
72016Assessment of quantum chemical methods for the calculation of homolytic N–F bond dissociation energiesAkhmetova, Nuriya; Kaliyeva, Laura; O'Reilly, Robert 8-Apr-2024
88-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
92015An 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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