Detalhe da pesquisa
1.
Investigating the (Poly)Radicaloid Nature of Real-World Organic Compounds with DFT-Based Methods.
J Phys Chem A
; 124(18): 3590-3600, 2020 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32276537
2.
Quadratic integrand double-hybrid made spin-component-scaled.
J Chem Phys
; 144(12): 124104, 2016 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-27036424
3.
Tuning the Electron Acceptor in Phthalocyanine-Based Electron Donor-Acceptor Conjugates.
Chemistry
; 21(52): 19028-40, 2015 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-26593778
4.
Single Lévy states-disorder induced energy funnels in molecular aggregates.
Nano Lett
; 14(12): 6774-81, 2014 Dec 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-25349900
5.
Assembling a phthalocyanine and perylenediimide donor-acceptor hybrid through a platinum(II) diacetylide linker.
Chemistry
; 19(43): 14506-14, 2013 Oct 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-24038280
6.
Assembling phthalocyanine dimers through a platinum(II) acetylide linker.
Chemistry
; 17(50): 14139-46, 2011 Dec 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-22052590
7.
Synthesis, characterization, and photoinduced energy and electron transfer in a supramolecular tetrakis (ruthenium(II) phthalocyanine) perylenediimide pentad.
Chemistry
; 17(18): 5024-32, 2011 Apr 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-21432919
8.
Conductance enhancement in nanographene-gold junctions by molecular pi-stacking.
J Am Chem Soc
; 131(41): 14857-67, 2009 Oct 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-19775082
9.
Photoinduced electron and energy transfer in aryldihydropyridines.
J Org Chem
; 74(17): 6615-22, 2009 Sep 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-19642692
10.
Using circumacenes to improve organic electronics and molecular electronics: design clues.
Nanotechnology
; 20(47): 475201, 2009 Nov 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-19858558
11.
A tightly coupled bis(zinc(II) phthalocyanine)-perylenediimide ensemble to yield long-lived radical ion pair states.
Org Lett
; 9(13): 2481-4, 2007 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-17542596
12.
Uncovering transport properties of 4,4'-bipyridine/gold molecular nanobridges.
J Phys Chem B
; 109(20): 10052-60, 2005 May 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-16852216
13.
Self-assembly of octachloroperylene diimide into 1D rods and 2D plates by manipulating the growth kinetics for waveguide applications.
Chem Commun (Camb)
; 50(35): 4620-3, 2014 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-24668027
14.
Bay-substituted perylene bisimide dye with an undistorted planar scaffold and outstanding solid state fluorescence properties.
Chem Commun (Camb)
; 48(99): 12050-2, 2012 Dec 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-23104274
15.
Synthesis and photophysical properties of a hydrogen-bonded phthalocyanine-perylenediimide assembly.
Chem Commun (Camb)
; 46(1): 127-9, 2010 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-20024315
16.
Merging multiconfigurational wavefunctions and correlation functionals to predict magnetic coupling constants.
J Comput Chem
; 28(16): 2559-68, 2007 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-17486552
17.
Combining two-body density correlation functionals with multiconfigurational wave functions using natural orbitals and occupation numbers.
J Chem Phys
; 127(10): 104102, 2007 Sep 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-17867732
18.
Torsional potential of 4,4'-bipyridine: ab initio analysis of dispersion and vibrational effects.
J Chem Phys
; 123(13): 134309, 2005 Oct 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-16223290
19.
Correlation energy functionals dependent on an effective number of electrons: charged species and equilibrium geometries.
J Chem Phys
; 123(14): 144111, 2005 Oct 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-16238378
20.
Density functional theory with alternative spin densities: application to magnetic systems with localized spins.
J Chem Phys
; 120(1): 18-25, 2004 Jan 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-15267256