102 Publications (Page 1 of 5)
2023
Ab Initio Calculations on the Ground and Excited Electronic States of Thorium-Ammonia, Thorium-Aza-Crown, and Thorium-Crown Ether Complexes.
Lu, Zhongyuan⋅Jackson, Benjamin A and Miliordos, Evangelos
Molecules (Basel, Switzerland), vol. 28, (no. 12), June 12, 2023. | Journal Article
 
Ab Initio Calculations on the Ground and Excited Electronic States of Thorium–Ammonia, Thorium–Aza-Crown, and Thorium–Crown Ether Complexes
Lu, Zhongyuan⋅Jackson, Benjamin A and Miliordos, Evangelos
Molecules, vol. 28, (no. 12), 2023. | Journal Article
 
A fresh perspective on metal ammonia molecular complexes and expanded metals: opportunities in catalysis and quantum information
Jackson, Benjamin A⋅Khan, Shahriar N and Miliordos, Evangelos
Chemical Communications : Chem Comm, vol. 59, (no. 71), pp. 10572-10587, 2023. | Journal Article
 
Methane against Methanol: The Tortoise and the Hare of the Oxidation Race.
Claveau, Emily E⋅Heller, Eric R⋅Richardson, Jeremy O and Miliordos, Evangelos
The journal of physical chemistry letters, vol. 14, (no. 39), pp. 8749-8754, October 5, 2023. | Journal Article
 
Near-thermo-neutral electron recombination of titanium oxide ions.
Jain, Naman⋅Kálosi, Ábel⋅Nuesslein, Felix⋅Paul, Daniel⋅Wilhelm, Patrick⋅Ard, Shaun G⋅Grieser, Manfred⋅von Hahn, Robert⋅Heaven, Michael C⋅Miliordos, Evangelos⋅Maffucci, Dominique⋅Shuman, Nicholas S⋅Viggiano, Albert A⋅Wolf, Andreas and Novotný, Oldřich
The Journal of chemical physics, vol. 158, (no. 14), pp. 144305, April 14, 2023. | Journal Article
 
Solvated dielectrons from optical excitation: An effective source of low-energy electrons.
Hartweg, Sebastian⋅Barnes, Jonathan⋅Yoder, Bruce L⋅Garcia, Gustavo A⋅Nahon, Laurent⋅Miliordos, Evangelos and Signorell, Ruth
Science (New York, N.Y.), pp. eadh0184, May 25, 2023. | Journal Article
 
Transition metal oxide complexes as molecular catalysts for selective methane to methanol transformation: any prospects or time to retire?
Claveau, Emily E⋅Sader, Safaa⋅Jackson, Benjamin A⋅Khan, Shahriar N and Miliordos, Evangelos
Physical Chemistry Chemical Physics : PCCP, vol. 25, (no. 7), pp. 5313-5326, 2023. | Journal Article
2022
Electronic structure of the ground and excited states of neutral and charged silicon hydrides, SiHx0/+/-, x = 1-4.
Claveau, Emily E⋅Claveau, E.E.⋅Choi, Y.⋅Choi, Yeseul⋅Adamczyk, Andrew J⋅Adamczyk, A.J.⋅Miliordos, E. and Miliordos, Evangelos
Physical chemistry chemical physics : PCCP, vol. 24, (no. 19), pp. 11782-11790, May 18, 2022. | Journal Article
 
[Fe4S4] cubane in sulfite reductases: new insights into bonding properties and reactivity.
Khan, Shahriar N⋅Griffith, Alexa⋅De Proft, Frank⋅Miliordos, Evangelos⋅Havenith, Remco W A⋅Bykov, Dmytro and Cunha, Ana V
Physical chemistry chemical physics : PCCP, vol. 24, (no. 31), pp. 18543-18551, August 10, 2022. | Journal Article
 
Simultaneous CO2 capture and functionalization: solvated electron precursors as novel catalysts.
Jackson, Benjamin A and Miliordos, Evangelos
Chemical communications (Cambridge, England), January 4, 2022. | Journal Article
 
The nature of supermolecular bonds: Investigating hydrocarbon linked beryllium solvated electron precursors.
Jackson, Benjamin A and Miliordos, Evangelos
The Journal of chemical physics, vol. 156, (no. 19), pp. 194302, May 21, 2022. | Journal Article
2021
Electronic and geometric structure of cationic and neutral chromium and molybdenum ammonia complexes.
Jackson, Benjamin A and Miliordos, Evangelos
The Journal of chemical physics, vol. 155, (no. 1), pp. 014303, July 7, 2021. | Journal Article
 
Electronic Structure of RhO2+, Its Ammoniated Complexes (NH3)1-5RhO2+, and Mechanistic Exploration of CH4 Activation by Them.
Khan, Shahriar N and Miliordos, Evangelos
Inorganic chemistry, vol. 60, (no. 21), pp. 16111-16119, November 1, 2021. | Journal Article
 
Electronic structure of the dicationic first row transition metal oxides.
Claveau, Emily E and Miliordos, Evangelos
Physical chemistry chemical physics : PCCP, September 16, 2021. | Journal Article
 
Ground and excited states analysis of alkali metal ethylenediamine and crown ether complexes.
Ariyarathna, Isuru R and Miliordos, Evangelos
Physical chemistry chemical physics : PCCP, September 6, 2021. | Journal Article
 
Infrared spectroscopy of RG-Co+(H2O) complexes (RG = Ar, Ne, He): The role of rare gas "tag" atoms.
Marks, Joshua H⋅Miliordos, Evangelos and Duncan, Michael A
The Journal of chemical physics, vol. 154, (no. 6), pp. 064306, February 14, 2021. | Journal Article
 
Methane to Methanol Conversion Facilitated by Anionic Transition Metal Centers: The Case of Fe, Ni, Pd, and Pt.
Sader, Safaa and Miliordos, Evangelos
The journal of physical chemistry. A, March 12, 2021. | Journal Article
 
Radical abstraction vs. oxidative addition mechanisms for the activation of the S-H, O-H, and C-H bonds using early transition metal oxides.
Ariyarathna, Isuru R and Miliordos, Evangelos
Physical chemistry chemical physics : PCCP, January 4, 2021. | Journal Article
2020
Ab initio investigation of the ground and excited states of RuO+,0,- and their reaction with water.
Ariyarathna, Isuru R⋅Almeida, Nuno M S and Miliordos, Evangelos
Physical chemistry chemical physics : PCCP, July 8, 2020. | Journal Article
 
Geometric and electronic structure analysis of calcium water complexes with one and two solvation shells.
Ariyarathna, Isuru R and Miliordos, Evangelos
Physical chemistry chemical physics : PCCP, September 30, 2020. | Journal Article
 
Isolating the Contributions of Specific Network Sites to the Diffuse Vibrational Spectrum of Interfacial Water with Isotopomer-Selective Spectroscopy of Cold Clusters.
Yang, Nan⋅Yang, Nan⋅Khuu, Thien⋅Khuu, Thien⋅Mitra, Sayoni⋅Mitra, Sayoni⋅Duong, Chinh H⋅Duong, Chinh H⋅Johnson, Mark A⋅Johnson, Mark A⋅DiRisio, Ryan J⋅DiRisio, Ryan J⋅McCoy, Anne B⋅McCoy, Anne B⋅Miliordos, Evangelos⋅Miliordos, Evangelos⋅Xantheas, Sotiris S and Xantheas, Sotiris S
The journal of physical chemistry. A, December 3, 2020. | Journal Article
 
Simultaneous Functionalization of Methane and Carbon Dioxide Mediated by Single Platinum Atomic Anions.
Liu, Gaoxiang⋅Ariyarathna, Isuru R⋅Ciborowski, Sandra M⋅Zhu, Zhaoguo⋅Miliordos, Evangelos and Bowen, Kit H
Journal of the American Chemical Society, December 13, 2020. | Journal Article
 
Weak-field ligands enable inert early transition metal oxides to convert methane to methanol: the case of ZrO.
Jackson, Benjamin A and Miliordos, Evangelos
Physical chemistry chemical physics : PCCP, March 11, 2020. | Journal Article
2019
Aufbau Principle for Diffuse Electrons of Double-Shell Metal Ammonia Complexes: The Case of M(NH3)4@12NH3, M = Li, Be+, B2.
Ariyarathna, Isuru R⋅Ariyarathna, Isuru R⋅Ariyarathna, Isuru R.⋅Pawłowski, Filip⋅Pawłowski, Filip⋅Pawłowski, Filip⋅Ortiz, Joseph Vincent⋅Ortiz, Joseph Vincent⋅Ortiz, Joseph Vincent⋅Miliordos, Evangelos⋅Miliordos, Evangelos and Miliordos, Evangelos
The journal of physical chemistry. A, November 6, 2019. | Journal Article
 
Carbon monoxide activation by atomic thorium: ground and excited state reaction pathways.
Ariyarathna, Isuru R and Miliordos, Evangelos
Physical chemistry chemical physics : PCCP, November 5, 2019. | Journal Article