Alle Typen
2016
Zeitschriftenartikel
Noncovalent Dimerization after Enediyne Cyclization on Au(111) , , , , , , , , ,
Journal of the American Chemical Society 138 (34), 10963–10967 (2016)
Zeitschriftenartikel
Systematic construction of density functionals based on matrix product state computations
New Journal of Physics 18 (8), 083039 (2016)
Zeitschriftenartikel
Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes , , , , , , , , , , ,
The Journal of Physical Chemistry C 120 (32), 18316–18322 (2016)
Zeitschriftenartikel
Stability of the Dirac cone in artificial graphene formed in quantum wells: a computational many-electron study , , , , ,
New Journal of Physics 18 (8), 083014 (2016)
Zeitschriftenartikel
Exact maps in density functional theory for lattice models
New Journal of Physics 18 (8), 083004 (2016)
Zeitschriftenartikel
Imaging single-molecule reaction intermediates stabilized by surface dissipation and entropy , , , , , , , , , ,
Nature Chemistry 8 (7), 678–683 (2016)
Zeitschriftenartikel
Electronic Structure of Low-Dimensional Carbon π-Systems , , ,
The Journal of Physical Chemistry C 120 (23), 12362–12368 (2016)
Zeitschriftenartikel
Stable Dirac semimetal in the allotropes of group-IV elements , , , ,
Physical Review B 93 (24), 241117(R) (2016)
Zeitschriftenartikel
Confined linear carbon chains as a route to bulk carbyne
A. Rubio, , , ,
, , , , , , , , , Nature Materials 15 (6), 634–639 (2016)
Zeitschriftenartikel
On the Exciton Coupling between Two Chlorophyll Pigments in the Absence of a Protein Environment: Intrinsic Effects Revealed by Theory and Experiment , , , , ,
Angewandte Chemie International Edition 55 (21), 6248–6251 (2016)
Zeitschriftenartikel
The mechanical bond on carbon nanotubes: diameter-selective functionalization and effects on physical properties
A. Rubio, , ,
, , , , , , Nanoscale 8 (17), 9254–9264 (2016)
Zeitschriftenartikel
Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra , , ,
European Physical Journal B 89 (5), 128 (2016)
Zeitschriftenartikel
Bilayer SnS2: Tunable stacking sequence by charging and loading pressure
A. Rubio, , ,
, , Physical Review B 93 (12), 125403 (2016)
Zeitschriftenartikel
Anisotropic electronic, mechanical, and optical properties of monolayer WTe2 , , ,
Journal of Applied Physics 119 (7), 074307 (2016)
Zeitschriftenartikel
Density functional theory study of the α−γ phase transition in cerium: Role of electron correlation and f-orbital localization
Physical Review B 93 (7), 075153 (2016)
Zeitschriftenartikel
Photoinduced Absorption within Single-Walled Carbon Nanotube Systems , , , , ,
The Journal of Physical Chemistry C 120 (3), 1926–1935 (2016)
2015
Zeitschriftenartikel
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems , , , , , , , , , , , , , , ,
Physical Chemistry Chemical Physics 17 (47), 31371–31396 (2015)
Zeitschriftenartikel
Kohn–Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space
Proceedings of the National Academy of Sciences of the United States of America 112 (50), 15285–15290 (2015)
Zeitschriftenartikel
Optical field terahertz amplitude modulation by graphene nanoribbons , , ,
Nanoscale 7 (45), 19012–19017 (2015)
Zeitschriftenartikel
Effect of a Single Water Molecule on the Electronic Absorption by o- and p-Nitrophenolate: A Shift to the Red or to the Blue? , ,
The Journal of Physical Chemistry A 119 (47), 11498–11503 (2015)