List of works - Isuru R Ariyarathna

Ab initio calculations on the ground and excited electronic states of neutral and charged palladium monoxide, PdO0,+,

scientific article published on 01 May 2018

Ab initio investigation of the ground and excited states of MoO+,2+,- and their catalytic strength on water activation.

scientific article published on 24 April 2018

Ab initio investigation of the ground and excited states of RuO+,0,- and their reaction with water

scientific article published on 08 July 2020

Aufbau Principle for Diffuse Electrons of Double-Shell Metal Ammonia Complexes: The Case of M(NH3)4@12NH3, M = Li, Be+, B2

scientific article published on 06 November 2019

Aufbau Rules for Solvated Electron Precursors: Be(NH3)40,± Complexes and Beyond.

scientific article published on 12 December 2017

Be-Be Bond in Action: Lessons from the Beryllium-Ammonia Complexes [Be(NH3)0-4]20,2

scientific article published on 15 October 2020

Carbon monoxide activation by atomic thorium: ground and excited state reaction pathways

scientific article published on 05 November 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 dimers

scientific article published on 12 February 2019

Exploiting Ligand Additivity for Transferable Machine Learning of Multireference Character across Known Transition Metal Complex Ligands

scientific article published on 14 July 2022

Geometric and electronic structure analysis of calcium water complexes with one and two solvation shells

scientific article published on 30 September 2020

Molecules mimicking atoms: monomers and dimers of alkali metal solvated electron precursors

scientific article published on 13 September 2018

O-H and C-H Bond Activations of Water and Methane by RuO2+ and (NH3)RuO2+: Ground and Excited States

scientific article published on 17 October 2019

Radical abstraction vs. oxidative addition mechanisms for the activation of the S-H, O-H, and C-H bonds using early transition metal oxides

scientific article published on 04 January 2021

Selective Activation of the C-H Bond in Methane by Single Platinum Atomic Anions

scientific article published on 29 April 2019

Stability and Electronic Features of Calcium Hexa-, Hepta-, and Octa-Coordinated Ammonia Complexes: A First-Principles Study

scientific article published on 26 July 2019

Superatomic nature of alkaline earth metal-water complexes: the cases of Be(H2O) and Mg(H2O)

scientific article published on 01 July 2019

Th(iv) and Ce(iv) napthylsalophen sandwich complexes: characterization of unusual thorium fluorescence in solution and solid-state.

scientific article published on 17 October 2017

The Versatile Personality of Beryllium: Be(O2)1-2 vs Be(CO)1-2.

scientific article published on 14 August 2017

Understanding the chemical bonding of ground and excited states of HfO and HfB with correlated wavefunction theory and density functional approximations

scientific article published in 2022

List of works by Isuru R Ariyarathna