Time-dependent density-functional theory: concepts and applications
CA Ullrich - 2011 - books.google.com
Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of
interacting electronic many-body systems formally exactly and in a practical and efficient …
interacting electronic many-body systems formally exactly and in a practical and efficient …
Ultrafast excited-state processes in Re (I) carbonyl-diimine complexes: From excitation to photochemistry
A Vlček Jr - Photophysics of Organometallics, 2009 - Springer
Rhenium (I) carbonyl-diimines are chemically robust and synthetically flexible photo-and
redox active compounds that can be incorporated into supramolecular systems, polymers or …
redox active compounds that can be incorporated into supramolecular systems, polymers or …
Density functional methods for excited states: equilibrium structure and electronic spectra
F Furche, D Rappoport - Theoretical and computational chemistry, 2005 - Elsevier
Density functional theory (DFT) is nowadays one of the most popular methods for ground
state electronic structure calculations in quantum chemistry and solid state physics …
state electronic structure calculations in quantum chemistry and solid state physics …
Time-dependent density functional theory
MAL Marques, EKU Gross - A Primer in Density Functional Theory, 2003 - Springer
Time-dependent density-functional theory (TDDFT) extends the basic ideas of ground-state
density-functional theory (DFT) to the treatment of excitations and of more general time …
density-functional theory (DFT) to the treatment of excitations and of more general time …
Well-Defined Nanographene–Rhenium Complex as an Efficient Electrocatalyst and Photocatalyst for Selective CO2 Reduction
Improving energy efficiency of electrocatalytic and photocatalytic CO2 conversion to useful
chemicals poses a significant scientific challenge. We report on using a colloidal …
chemicals poses a significant scientific challenge. We report on using a colloidal …
DNA binding and photocleavage in vitro by new dirhodium (II) dppz complexes: Correlation to cytotoxicity and photocytotoxicity
AM Angeles-Boza, PM Bradley, PKL Fu… - Inorganic …, 2004 - ACS Publications
Two new dirhodium (II) complexes possessing the intercalating dppz ligand (dppz= dipyrido
[3, 2-a: 2 ', 3 '-c] phenazine), cis-[Rh2 (μ-O2CCH3) 2 (dppz)(η1-O2CCH3)(CH3OH)]+(1) and …
[3, 2-a: 2 ', 3 '-c] phenazine), cis-[Rh2 (μ-O2CCH3) 2 (dppz)(η1-O2CCH3)(CH3OH)]+(1) and …
Environmental effects on the photophysics of transition metal complexes with dipyrido [2, 3-a: 3′, 2′-c] phenazine (dppz) and related ligands
This review primarily covers studies of ruthenium (II) complexes with the dppz (dipyrido [2, 3-
a: 3′, 2′-c] phenazine) ligand; in solution, in polymers and surfactant/lipid media, and …
a: 3′, 2′-c] phenazine) ligand; in solution, in polymers and surfactant/lipid media, and …
Rhenium (I) polypyridine biotin isothiocyanate complexes as the first luminescent biotinylation reagents: synthesis, photophysical properties, biological labeling …
KKW Lo, MW Louie, KS Sze, JSY Lau - Inorganic chemistry, 2008 - ACS Publications
We report here the design of the first class of luminescent biotinylation reagents derived from
rhenium (I) polypyridine complexes. These complexes [Re (N− N)(CO) 3 (py-biotin …
rhenium (I) polypyridine complexes. These complexes [Re (N− N)(CO) 3 (py-biotin …
Elucidating excited state electronic structure and intercomponent interactions in multicomponent and supramolecular systems
WR Browne, NM O'Boyle, JJ McGarvey… - Chemical Society …, 2005 - pubs.rsc.org
Rational design of supramolecular systems for application in photonic devices requires a
clear understanding of both the mechanism of energy and electron transfer processes and …
clear understanding of both the mechanism of energy and electron transfer processes and …
Recent exploitation of luminescent rhenium (I) tricarbonyl polypyridine complexes as biomolecular and cellular probes
KKW Lo, KY Zhang, SPY Li - European Journal of Inorganic …, 2011 - Wiley Online Library
The interesting emission properties of rhenium (I) tricarbonyl polypyridine complexes have
been exploited in the development of various sensors and probes for analytes. Luminescent …
been exploited in the development of various sensors and probes for analytes. Luminescent …