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Molecules (Basel, Switzerland)|June 13, 2025
An Ab Initio Electronic Structure Investigation of the Ground and Excited States of ScH+, YH+, and LaHIsuru R AriyarathnaPhysical Chemistry Chemical Physics : PCCP|July 25, 2021
Ground and excited electronic structure analysis of XM4 (X = N, P and M = Li, Na) and their anionsIsuru R AriyarathnaInorganic Chemistry|December 21, 2021
Superatomic Chelates: The Cases of Metal Aza-Crown Ethers and CryptandsIsuru R AriyarathnaPhysical Chemistry Chemical Physics : PCCP|October 6, 2021
Ground and excited electronic structures of metal encapsulated nanocages: the cases of endohedral M@C20H20 (M = K, Rb, Ca, Sr) and M@C36H36 (M = Na, K, Rb)Isuru R AriyarathnaPhysical Chemistry Chemical Physics : PCCP|August 7, 2024
Wavefunction theory and density functional theory analysis of ground and excited electronic states of TaB and WBIsuru R AriyarathnaPhysical Chemistry Chemical Physics : PCCP|January 4, 2021
Radical abstraction vs. oxidative addition mechanisms for the activation of the S-H, O-H, and C-H bonds using early transition metal oxidesIsuru R Ariyarathna, Evangelos MiliordosPhysical Chemistry Chemical Physics : PCCP|September 30, 2020
Geometric and electronic structure analysis of calcium water complexes with one and two solvation shellsIsuru R Ariyarathna, Evangelos MiliordosJournal of Computational Chemistry|February 13, 2019
Electronic and geometric structure analysis of neutral and anionic alkali metal complexes of the CX series (X = O, S, Se, Te, Po): The case of M(CX) n = 1-4 (M = Li, Na) and their dimersIsuru R Ariyarathna, Evangelos MiliordosPhysical Chemistry Chemical Physics : PCCP|September 6, 2021
Ground and excited states analysis of alkali metal ethylenediamine and crown ether complexesIsuru R Ariyarathna, Evangelos MiliordosPhysical Chemistry Chemical Physics : PCCP|July 9, 2019
Superatomic nature of alkaline earth metal-water complexes: the cases of Be(H2O) and Mg(H2O)Isuru R Ariyarathna, Evangelos MiliordosPageof 5