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Physical Chemistry Chemical Physics : PCCP|April 25, 2018
Ab initio investigation of the ground and excited states of MoO+,2+,- and their catalytic strength on water activationIsuru R Ariyarathna, Evangelos MiliordosPhysical Chemistry Chemical Physics : PCCP|November 6, 2019
Carbon monoxide activation by atomic thorium: ground and excited state reaction pathwaysIsuru R Ariyarathna, Evangelos MiliordosJournal of Computational Chemistry|March 29, 2019
Electronic and geometric structure analysis of neutral and anionic metal nitric chalcogens: The case of MNX series (M=Li, Na, Be and X=O, S, Se, Te)Isuru R Ariyarathna, Evangelos MiliordosThe Journal of Physical Chemistry. A|August 15, 2017
The Versatile Personality of Beryllium: Be(O2)1-2 vs Be(CO)1-2Isuru R Ariyarathna, Evangelos MiliordosThe Journal of Physical Chemistry. A|October 15, 2020
Be-Be Bond in Action: Lessons from the Beryllium-Ammonia Complexes [Be(NH3)0-4]20,2Isuru R Ariyarathna, Evangelos MiliordosThe Journal of Chemical Physics|May 14, 2022
Understanding the chemical bonding of ground and excited states of HfO and HfB with correlated wavefunction theory and density functional approximationsIsuru R Ariyarathna, Chenru Duan, Heather J KulikPhysical Chemistry Chemical Physics : PCCP|May 17, 2018
Ab initio calculations on the ground and excited electronic states of neutral and charged palladium monoxide, PdO0,+,Nuno M S Almeida, Isuru R Ariyarathna, Evangelos MiliordosPhysical Chemistry Chemical Physics : PCCP|July 9, 2020
Ab initio investigation of the ground and excited states of RuO+,0,- and their reaction with waterIsuru R Ariyarathna, Nuno M S Almeida, Evangelos MiliordosThe Journal of Physical Chemistry. A|July 16, 2019
Stability and Electronic Features of Calcium Hexa-, Hepta-, and Octa-Coordinated Ammonia Complexes: A First-Principles StudyIsuru R Ariyarathna, Nuno M S Almeida, Evangelos MiliordosThe Journal of Physical Chemistry. A|October 4, 2019
O-H and C-H Bond Activations of Water and Methane by RuO2+ and (NH3)RuO2+: Ground and Excited StatesNuno M S Almeida, Isuru R Ariyarathna, Evangelos MiliordosPageof 5