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Can molecular projected density of states (PDOS) be systematically used in electronic conductance analysis?This result set contains:

Rangel, Tonatiuh; Rignanese, Gian-Marco; Olevano, Valerio
2015

Electronic interaction in composites of a conjugated polymer and carbon nanotubes: first-principles calculation and photophysical approachesThis result set contains:

Massuyeau, Florian; Wéry, Jany; Duvail, Jean-Luc; Lefrant, Serge; Yaya, Abu; et al.
2015

The enigma of Au21(SC2H4Ph)14 nanocluster: a synthetic challengeThis result set contains:

Krishna, Katla Sai; He, Ming; Bruce, David A.; Kumar, Challa S.S.R.
2014

A First-Principles Study of Metal-Decorated Graphene Nanoribbons for Hydrogen StorageThis result set contains:

Tranca, Diana C.; Seifert, Gotthard
2016

Interaction between doped C60 fullerenes and piperazine-2,3,5,6-tetraone: DFT simulationThis result set contains:

Alver, Özgür; Parlak, Cemal; Ramasami, Ponnadurai; Şenyel, Mustafa
2018

Nanoparticle shapes by using Wulff constructions and first-principles calculationsThis result set contains:

Barmparis, Georgios; Lodziana, Zbigniew; Lopez, Nuria; Remediakis, Ioannis
2015

Quantum Mechanical Study of γ-Fe2O3 Nanoparticle as a Nanocarrier for Anticancer Drug DeliveryThis result set contains:

Lari, Hadi; Morsali, Ali; Heravi, Mohammad Momen
2018