Binding configuration, electronic structure, and magnetic properties of metal phthalocyanines on a Au(111) surface studied withab initiocalculations

Site- and Configuration-Selective Anchoring of Iron–Phthalocyanine on the Step Edges of Au(111) Surface

(2011) Lizhi Zhang et al.   Journal of Physical Chemistry C

Adsorption of small aromatic molecules on the (111) surfaces of noble metals: A density functional theory study with semiempirical corrections for dispersion effects

(2010) Katrin Tonigold et al.   JOURNAL OF CHEMICAL PHYSICS

CoPc adsorption on Cu(111): Origin of the C4 to C2 symmetry reduction

(2010) Ramón Cuadrado et al.   JOURNAL OF CHEMICAL PHYSICS

Diffusivity Control in Molecule-on-Metal Systems Using Electric Fields

(2010) N. Jiang et al.   NANO LETTERS

Theoretical and experimental comparison of SnPc, PbPc, and CoPc adsorption on Ag(111)

(2010) J. D. Baran et al.   PHYSICAL REVIEW B

Identifying Multiple Configurations of Complex Molecules in Dynamical Processes: Time Resolved Tunneling Spectroscopy and Density Functional Theory Calculation

(2010) Q. Liu et al.   PHYSICAL REVIEW LETTERS

Structure and Energetics of Azobenzene on Ag(111): Benchmarking Semiempirical Dispersion Correction Approaches

(2010) G. Mercurio et al.   PHYSICAL REVIEW LETTERS

Spin- and Energy-Dependent Tunneling through a Single Molecule with Intramolecular Spatial Resolution

(2010) Jens Brede et al.   PHYSICAL REVIEW LETTERS

A density functional theory study of the manganese-phthalocyanine

(2010) Daniele Stradi et al.   THEORETICAL CHEMISTRY ACCOUNTS

Describing Both Dispersion Interactions and Electronic Structure Using Density Functional Theory: The Case of Metal−Phthalocyanine Dimers

(2009) Noa Marom et al.   Journal of Chemical Theory and Computation

First-principles study of the pentacene/Cu(111) interface: Adsorption states and vacuum level shifts

(2009) Kenji Toyoda et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

Engineering of the Energy Level Alignment at Organic Semiconductor Interfaces by Intramolecular Degrees of Freedom: Transition Metal Phthalocyanines

(2009) M. Grobosch et al.   Journal of Physical Chemistry C

Rings sliding on a honeycomb network: Adsorption contours, interactions, and assembly of benzene on Cu(111)

(2009) K. Berland et al.   PHYSICAL REVIEW B

Azobenzene at coinage metal surfaces: Role of dispersive van der Waals interactions

(2009) Erik R. McNellis et al.   PHYSICAL REVIEW B

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Scanning tunneling microscopy of functional nanostructures on solid surfaces: Manipulation, self-assembly, and applications

(2009) H.-J. Gao et al.   PROGRESS IN SURFACE SCIENCE

The electronic structure of cobalt phthalocyanine

(2008) V. V. Maslyuk et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Density functional theory of transition metal phthalocyanines, I: electronic structure of NiPc and CoPc—self-interaction effects

(2008) Noa Marom et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Density functional theory of transition metal phthalocyanines, II: electronic structure of MnPc and FePc—symmetry and symmetry breaking

(2008) Noa Marom et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Electronic structure of copper phthalocyanine: A comparative density functional theory study

(2008) Noa Marom et al.   JOURNAL OF CHEMICAL PHYSICS

Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases

(2008) Vincenzo Barone et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Electronic and Magnetic Properties of Metal Phthalocyanines on Au(111) Surface: A First-Principles Study

(2008) Zhenpeng Hu et al.   Journal of Physical Chemistry C

Hybrid functionals applied to extended systems

(2008) M Marsman et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Electron transport through single phthalocyanine molecules studied using scanning tunneling microscopy

(2008) A. F. Takács et al.   PHYSICAL REVIEW B

Constructing an Array of Anchored Single-Molecule Rotors on Gold Surfaces

(2008) L. Gao et al.   PHYSICAL REVIEW LETTERS