Evangelos Miliordos

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Sotiris S. XantheasLaboratory Fellow, PNNL / Chemistry, University of WashingtonVerified email at pnnl.gov
Isuru R. AriyarathnaRichard Feynman Postdoctoral Fellow, Los Alamos National LaboratoryVerified email at lanl.gov
Shahriar N KhanGraduate student, Auburn UniversityVerified email at auburn.edu
Aristides MavridisProfessor of Chemistry, Chemistry Department, National and Kapodistrian University of AthensVerified email at chem.uoa.gr
J V OrtizRuth W. Molette Professor, Department of Chemistry and Biochemistry, Auburn UniversityVerified email at auburn.edu
Edoardo ApràPacific Northwest National LaboratoryVerified email at pnnl.gov
Filip PawlowskiAuburn UniversityVerified email at auburn.edu
Aristotle PapakondylisNational and Kapodistrian University of AthensVerified email at chem.uoa.gr
Mark JohnsonYale UniversityVerified email at yale.edu
Konstantinos D. VogiatzisAssociate Professor, University of Tennessee, KnoxvilleVerified email at utk.edu
Anne E. V. GordenAssociate Professor of Chemistry and Biochemistry, Texas Tech UniversityVerified email at ttu.edu
John D. GordenAssociate Professor, Chemistry and Biochemistry, Texas Tech UniversityVerified email at ttu.edu
Nityananda SahuAssistant Professor, Indian Institute of Technology–JammuVerified email at iitjammu.ac.in
Shridhar GadreDistinguished Professor, SPPU, PuneVerified email at iitk.ac.in
Pradipta BandyopadhyayProfessor, Jawaharlal Nehru UniversityVerified email at mail.jnu.ac.in
Gerrit C. GroenenboomTheoretical Chemistry, Institute for Molecules and Materials, Radboud University NijmegenVerified email at theochem.ru.nl
Anirban MandalMichigan State UniversityVerified email at msu.edu
Joseph A. FournierWashington University in St. LouisVerified email at wustl.edu
Dionisios G. VlachosUniversity of DelawareVerified email at udel.edu
Athanasios A. TsekourasNational and Kapodistrian University of AthensVerified email at chem.uoa.gr

Evangelos Miliordos

Auburn University

Verified email at auburn.edu - Homepage

Physical Chemistry theoretical chemistry computational chemistry


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Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O) n, n= 2–6, and several hexamer local minima at the CCSD (T) level of theory E Miliordos, E Aprà, SS Xantheas The Journal of chemical physics 139 (11), 2013	124	2013
Unusual inorganic biradicals: A theoretical analysis E Miliordos, K Ruedenberg, SS Xantheas Angewandte Chemie 125 (22), 5848-5851, 2013	95	2013
Benchmark theoretical study of the π–π binding energy in the benzene dimer E Miliordos, E Aprà, SS Xantheas The Journal of Physical Chemistry A 118 (35), 7568-7578, 2014	90	2014
Carbonyl Boron and Related Systems: An ab Initio Study of B−X and YB⋮BY (¹Σ_g⁺), Where X = He, Ne, Ar, Kr, CO, CS, N₂ and Y = Ar, Kr, CO, CS, N₂ A Papakondylis, E Miliordos, A Mavridis The Journal of Physical Chemistry A 108 (19), 4335-4340, 2004	89	2004
Electronic Structure and Bonding of the Early 3d-Transition Metal Diatomic Oxides and Their Ions: ScO^0,±, TiO^0,±, CrO^0,±, and MnO^0,± E Miliordos, A Mavridis The Journal of Physical Chemistry A 114 (33), 8536-8572, 2010	81	2010
On the Bonding Nature of Ozone (O₃) and Its Sulfur-Substituted Analogues SO₂, OS₂, and S₃: Correlation between Their Biradical Character and Molecular … E Miliordos, SS Xantheas Journal of the American Chemical Society 136 (7), 2808-2817, 2014	72	2014
First principles study of the ground and excited states of FeO, FeO+, and FeO− CN Sakellaris, E Miliordos, A Mavridis The Journal of chemical physics 134 (23), 2011	72	2011
Electronic Structure of Vanadium Oxide. Neutral and Charged Species, VO^0,± E Miliordos, A Mavridis The Journal of Physical Chemistry A 111 (10), 1953-1965, 2007	72	2007
An accurate and efficient computational protocol for obtaining the complete basis set limits of the binding energies of water clusters at the MP2 and CCSD (T) levels of theory … E Miliordos, SS Xantheas The Journal of chemical physics 142 (23), 2015	69	2015
On the validity of the basis set superposition error and complete basis set limit extrapolations for the binding energy of the formic acid dimer E Miliordos, SS Xantheas The Journal of chemical physics 142 (9), 2015	54	2015
Enantioselective syntheses of homopropargylic alcohols via asymmetric allenylboration M Wang, S Khan, E Miliordos, M Chen Organic letters 20 (13), 3810-3814, 2018	51	2018
The origin of the reactivity of the Criegee intermediate: implications for atmospheric particle growth E Miliordos, SS Xantheas Angewandte Chemie International Edition 55 (3), 1015-1019, 2016	51	2016
Enantioselective allenylation of aldehydes via Brønsted acid catalysis M Wang, S Khan, E Miliordos, M Chen Advanced Synthesis & Catalysis 360 (23), 4634-4639, 2018	45	2018
Quantum mechanical calculation of the collision-induced absorption spectra of N2–N2 with anisotropic interactions T Karman, E Miliordos, KLC Hunt, GC Groenenboom, A van der Avoird The Journal of Chemical Physics 142 (8), 2015	45	2015
Selective activation of the C− H bond in methane by single platinum atomic anions G Liu, Z Zhu, SM Ciborowski, IR Ariyarathna, E Miliordos, KH Bowen Angewandte Chemie International Edition 58 (23), 7773-7777, 2019	42	2019
Aufbau Rules for Solvated Electron Precursors: Be(NH₃)₄^0,± Complexes and Beyond IR Ariyarathna, SN Khan, F Pawłowski, JV Ortiz, E Miliordos The Journal of Physical Chemistry Letters 9 (1), 84-88, 2018	40	2018
Ligand field effects on the ground and excited states of reactive FeO 2+ species JK Kirkland, SN Khan, B Casale, E Miliordos, KD Vogiatzis Physical Chemistry Chemical Physics 20 (45), 28786-28795, 2018	38	2018
Ab initio investigation of the electronic structure and bonding of BH, BH−, and HBBH molecules E Miliordos, A Mavridis The Journal of chemical physics 128 (14), 2008	36	2008
n, n= 2–6, and Several Hexamer Local Minima at the CCSD (T) Level of Theory E Miliordos, E Aprà, SS Xantheas J. Chem. Phys 139 (11), 114302, 2013	33	2013
Molecules mimicking atoms: monomers and dimers of alkali metal solvated electron precursors IR Ariyarathna, F Pawłowski, JV Ortiz, E Miliordos Physical Chemistry Chemical Physics 20 (37), 24186-24191, 2018	32	2018

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