| 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 | 98 | 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 | 92 | 2014 |
| Carbonyl Boron and Related Systems: An ab Initio Study of B−X and YB⋮BY (1Σg+), 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 | 90 | 2004 |
| Electronic Structure and Bonding of the Early 3d-Transition Metal Diatomic Oxides and Their Ions: ScO0,±, TiO0,±, CrO0,±, and MnO0,± E Miliordos, A Mavridis The Journal of Physical Chemistry A 114 (33), 8536-8572, 2010 | 80 | 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 | 78 | 2014 |
| 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 | 72 | 2015 |
| 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, VO0,± E Miliordos, A Mavridis The Journal of Physical Chemistry A 111 (10), 1953-1965, 2007 | 72 | 2007 |
| 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 | 52 | 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 | 52 | 2016 |
| 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 | 48 | 2019 |
| Enantioselective allenylation of aldehydes via Brønsted acid catalysis M Wang, S Khan, E Miliordos, M Chen Advanced Synthesis & Catalysis 360 (23), 4634-4639, 2018 | 47 | 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 | 47 | 2015 |
| Aufbau Rules for Solvated Electron Precursors: Be(NH3)40,± Complexes and Beyond IR Ariyarathna, SN Khan, F Pawłowski, JV Ortiz, E Miliordos The Journal of Physical Chemistry Letters 9 (1), 84-88, 2018 | 43 | 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 |
| 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 | 35 | 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 | 35 | 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 |
Sotiris S. XantheasLaboratory Fellow, PNNL / Chemistry, University of Washington在 pnnl.gov 的电子邮件经过验证
