List of works - Evangelos Miliordos

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

Communication: Water activation and splitting by single metal-atom anions

scientific article published on 01 December 2018

Dependence of the multipole moments, static polarizabilities, and static hyperpolarizabilities of the hydrogen molecule on the H-H separation in the ground singlet state

scientific article published on 01 December 2018

Electronic and structural features of octa-coordinated yttrium-ammonia complexes: the first neutral solvated electron precursor with eight ligands and three outer electrons

scientific article published on 01 March 2019

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

scientific article published on 30 September 2020

Isolating the Contributions of Specific Network Sites to the Diffuse Vibrational Spectrum of Interfacial Water with Isotopomer-Selective Spectroscopy of Cold Clusters

scientific article published on 03 December 2020

Ligand field effects on the ground and excited states of reactive FeO2+ species

scientific article published on 01 November 2018

Methane to Methanol Conversion Facilitated by Transition-Metal Methyl and Methoxy Units: The Cases of FeCH3+ and FeOCH3

scientific article published on 25 June 2019

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

Quantum chemical calculations on NbO and its reaction with methane: ground and excited electronic states

scientific article published on 01 December 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

Simultaneous Functionalization of Methane and Carbon Dioxide Mediated by Single Platinum Atomic Anions

scientific article published on 13 December 2020

Solvated dielectrons from optical excitation: An effective source of low-energy electrons

scientific article published on 25 May 2023

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

The Origin of the Reactivity of the Criegee Intermediate: Implications for Atmospheric Particle Growth.

scientific article published on 4 December 2015

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

scientific article published on 14 August 2017

The interaction-induced dipole of H2-H: New ab initio results and spherical tensor analysis

scientific article published on 01 May 2019

The role of O(1D) in the oxidation mechanism of ethylene by iodosobenzene and other hypervalent molecules

scientific article published in July 2017

Transition-metal solvated-electron precursors: diffuse and 3d electrons in V(NH3)