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Physical Chemistry Chemical Physics : PCCP|June 9, 2015
Graphene allotropes under extreme uniaxial strain: an ab initio theoretical studyZacharias G Fthenakis, Nektarios N LathiotakisScientific Reports|February 11, 2016
Direct Band Gap Gallium Antimony Phosphide (GaSbxP(1-x)) AlloysH B Russell, A N Andriotis, M Menon, et al.Materials (Basel, Switzerland)|January 11, 2022
Uniaxially Strained Graphene: Structural Characteristics and G-Mode SplittingGeorge Kalosakas, Nektarios N Lathiotakis, Konstantinos PapagelisMaterials (Basel, Switzerland)|September 13, 2025
Tailoring the Electronic and Structural Properties of Lead-Free A2ZrX6 "Defect" Perovskites: A DFT Study on A-Site Cation and Halogen SubstitutionsChristina Kolokytha, Demeter Tzeli, Nektarios N LathiotakisJournal of Chemical Theory and Computation|May 13, 2016
Conditions for Describing Triplet States in Reduced Density Matrix Functional TheoryIris Theophilou, Nektarios N Lathiotakis, Nicole HelbigThe Journal of Chemical Physics|March 24, 2018
Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted studyIris Theophilou, Nektarios N Lathiotakis, Nicole HelbigThe Journal of Chemical Physics|August 10, 2011
Fractional spin in reduced density-matrix functional theoryN Helbig, G Theodorakopoulos, N N LathiotakisAdvanced Materials (Deerfield Beach, Fla.)|February 19, 2014
New visible light absorbing materials for solar fuels, Ga(Sbx)N1-xSwathi Sunkara, Venkat Kalyan Vendra, Jacek Bogdan Jasinski, et al.The Journal of Chemical Physics|March 3, 2010
Size consistency of explicit functionals of the natural orbitals in reduced density matrix functional theoryN N Lathiotakis, N I Gidopoulos, N HelbigMaterials (Basel, Switzerland)|September 10, 2021
Width Dependent Elastic Properties of Graphene NanoribbonsGeorge Kalosakas, Nektarios N Lathiotakis, Konstantinos PapagelisPageof 2,544