Properties of noncovalent tetraphenylporphine⋯C60 dyads as studied by different long-range and dispersion-corrected DFT functionals

Dispersion-Corrected Density Functional Theory Calculations of meso-Tetraphenylporphine-C60 Complex by Using DMol3 Module

(2014) Vladimir A. Basiuk et al.   Journal of Computational and Theoretical Nanoscience

Large face to face tetraphenylporphyrin/fullerene nanoaggregates. A DFT study

(2013) Ulises Jiménez Castillo et al.   ORGANIC ELECTRONICS

Self-assembling porphyrins and phthalocyanines for photoinduced charge separation and charge transport

(2012) Hiroshi Imahori et al.   CHEMICAL COMMUNICATIONS

Noncovalent Interaction of Meso-Tetraphenylporphine with C60 Fullerene as Studied by Several DFT Methods

(2011) VladimirA. Basiuk et al.   JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

A Density Functional Theory Study of Porphyrin–Pyridine–Fullerene Triad ZnTPP·Py·C60

(2010) Vladimir A. Basiuk et al.   Journal of Computational and Theoretical Nanoscience

Interaction of meso-Tetraphenylporphines with C60 Fullerene: Comparison of Several Density Functional Theory Functionals Implemented in DMol3 Module

(2010) Yevgeniy Kolokoltsev et al.   Journal of Computational and Theoretical Nanoscience

Noncovalent 1:2 Complex of meso-Tetraphenylporphine with C60 Fullerene: A Density Functional Theory Study

(2010) Oscar Amelines-Sarria et al.   Journal of Computational and Theoretical Nanoscience

Donor−Acceptor Nanoarchitecture on Semiconducting Electrodes for Solar Energy Conversion

(2009) Hiroshi Imahori et al.   Journal of Physical Chemistry C

Supramolecular Donor−Acceptor Heterojunctions by Vectorial Stepwise Assembly of Porphyrins and Coordination-Bonded Fullerene Arrays for Photocurrent Generation

(2009) Aiko Kira et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dispersion-corrected DFT calculations on C60-porphyrin complexes

(2009) Meng-Sheng Liao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Optical properties, electronic band structure, and vibrational spectrum of thin C60-TPP films

(2009) I. B. Zakharova et al.   PHYSICS OF THE SOLID STATE

Applications of carbon materials in photovoltaic solar cells

(2009) Hongwei Zhu et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Systematic optimization of long-range corrected hybrid density functionals

(2008) Jeng-Da Chai et al.   JOURNAL OF CHEMICAL PHYSICS

Assessment of the Performance of the M05−2X and M06−2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules

(2008) Edward G. Hohenstein et al.   Journal of Chemical Theory and Computation

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS