Results 241 to 250 of about 167,695 (329)

Simulation of Vibrational Circular Dichroism Spectra Using Second-Order Møller–Plesset Perturbation Theory and Configuration Interaction Doubles

Brendan M. Shumberger, T. Daniel Crawford   +1 more
openalex   +1 more source

Controlled Helix‐Sense‐Selective Polymerization of 4‐Alkoxy‐3,5‐Bis(hydroxymethyl)phenylacetylene Derivative Initiated by Chiral Hexa‐1,3,5‐Trienylrhodium(I) Complex

ChemistryEurope, EarlyView.
The controlled helix‐sense‐selective polymerization of an achiral 4‐alkoxy‐3,5‐bis(hydroxymethyl)phenylacetylene derivative using an axially chiral heptaarylhexa‐1,3,5‐trienylrhodium(I) complex bearing a hydrophobic tert‐butyl group and a tetrafluorobenzobarrelene ligand as the initiator is achieved, thereby elucidating the relationship between ...
Akari Oka, Kensuke Echizen, Tatsuya Nishimura, Katsuhiro Maeda, Tsuyoshi Taniguchi   +4 more
wiley   +1 more source

Nanophotonic-Enhanced Thermal Circular Dichroism for Chiral Sensing. [PDF]

ACS Photonics
Mohammadi E, Tagliabue G.
europepmc   +1 more source

Quantum Chemistry Investigation of Linear and Nonlinear (chir)optical Properties of Oligoamide Foldamers

ChemistryEurope, EarlyView.
The linear and nonlinear (chir)optical properties of four oligoamide foldamers with different donor groups are studied by means of time‐dependent density functional theory calculations. It is shown that stronger donors yield larger hyperpolarizabilities due to low‐lying charge–transfer states. The agreement with the experiments concerning the key bands
Komlanvi Sèvi Kaka, Andrea Bonvicini, Yann Ferrand, Céline Olivier, Vincent Rodriguez, Benoît Champagne   +5 more
wiley   +1 more source

Current-induced circular dichroism on metallic surfaces: A first-principles study. [PDF]

Phys Rev B
Mahfouzi F, Stiles MD, Haney PM.
europepmc   +1 more source

Covalent Attachment of a Platinum(II) Complex inside DNA Duplexes

ChemistryEurope, EarlyView.
Oxidative addition is used for the site‐specific incorporation of an organometallic PtII complex as an artificial nucleobase into a DNA duplex. The platination stabilizes the duplex and confers it with phosphorescence. An organometallic phosphorescent PtII complex is introduced into DNA duplexes via oxidative addition to a tailor‐made artificial ...
Tim Schäfer, Iván Maisuls, Felix Boisten, Marian Hebenbrock, Alexander Hepp, Cristian A. Strassert, Jens Müller   +6 more
wiley   +1 more source

Analytic Computation of Vibrational Circular Dichroism Spectra Using Second-Order Møller-Plesset Perturbation Theory. [PDF]

J Chem Theory Comput
Shumberger BM, Pearce KC, Crawford TD.
europepmc   +1 more source

Decoupling Redox Potentials and Excited State Energies in Substituted Chromium(III) Chromophores

Chemistry – A European Journal, EarlyView.
Redox and excited state properties of organic and precious metal CT photocatalysts are strongly entangled. In contrast, redox potentials of polypyridine chromium(III) complexes, that feature purely metal‐centered SF states, are selectively tuned by incremental substituent effects of the CF3 group, while excited state energies and lifetimes remain ...
Steven Sittel, Dimitri Zorn, Alexandra König, Jonas Marcel Grenz, Christoph Förster, Robert Naumann, Katja Heinze   +6 more
wiley   +1 more source

Dynamics and Conformational Stability of Chiral Bay‐Phenolate‐Substituted Twisted Octaazaperopyrenedioxides (OAPPDOs)

Chemistry – A European Journal, EarlyView.
Chiral octaazaperopyrenedioxide (OAPPDO) fluorophores were obtained by functionalizing with BINOL and related fragments bridging the bay position. They possess conformational flexibility but remarkable thermal stability with respect to racemization of the central chromophore, which allowed the study of their chiroptical properties, including circular ...
Bastian Rojas‐Deij, Lars Schneider, Tim Bruckhoff, Robert Eichelmann, Philipp Rohrmann, Raphael Candalh, Joachim Ballmann, Felix Deschler, Lutz H. Gade   +8 more
wiley   +1 more source

UV Circular Dichroism of Molecular Films on Plasmonic Nanostructures: A Comparative Case Study with On-Resonant Aluminum and Off-Resonant Silver Nanoparticles. [PDF]

ACS Photonics
Han T, Onwukaeme C, Jeon E, Lee KR, Yoo S, Reinhard BM.   +5 more
europepmc   +1 more source