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Nanoscale|December 10, 2024
Comprehensive determination of highly symmetric transition metal dichalcogenide multilayersJessica Arcudia, Filiberto Ortíz-Chi, Jorge Barroso, et al.Journal of Cheminformatics|February 3, 2026
SPARFlow: a KNIME workflow for integrated structure-activity or structure-property relationship analysisElier E Abreu-Martínez, Karina Martinez-Mayorga, Gabriel MerinoChemistryopen|February 12, 2019
Noble-Noble Strong Union: Gold at Its Best to Make a Bond with a Noble Gas AtomSudip Pan, Gourhari Jana, Gabriel Merino, et al.Journal of Computational Chemistry|March 17, 2022
Dismantlement of ammonia upon interaction with Ben (n ≤ 10) clustersManuel Yáñez, Filiberto Ortíz-Chi, Gabriel Merino, et al.Angewandte Chemie (International Ed. in English)|April 4, 2019
Unprecedented Bonding Situation in Viable E2 (NHBMe )2 (E=Be, Mg; NHBMe =(HCNMe )2 B) Complexes: Neutral E2 Forms a Single E-E Covalent BondRanajit Saha, Sudip Pan, Gabriel Merino, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 21, 2014
Stability of noble-gas-bound SiH₃⁺ clustersSudip Pan, Diego Moreno, Gabriel Merino, et al.Angewandte Chemie (International Ed. in English)|February 21, 2014
Two dimensional materials beyond MoS2: noble-transition-metal dichalcogenidesPere Miró, Mahdi Ghorbani-Asl, Thomas HeineAdvanced Materials (Deerfield Beach, Fla.)|July 2, 2013
Spontaneous ripple formation in MoS(2) monolayers: electronic structure and transport effectsPere Miró, Mahdi Ghorbani-Asl, Thomas HeinePhysical Chemistry Chemical Physics : PCCP|January 14, 2016
Prediction of topological phase transition in X2-SiGe monolayersRosalba Juarez-Mosqueda, Yandong Ma, Thomas HeineJournal of Chemical Theory and Computation|November 18, 2015
DFTB Parameters for the Periodic Table, Part 2: Energies and Energy Gradients from Hydrogen to CalciumAugusto F Oliveira, Pier Philipsen, Thomas HeinePageof 48