Computational Prediction of 1H and 13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry
MW Lodewyk, MR Siebert, DJ Tantillo - Chemical Reviews, 2012 - ACS Publications
Quantum mechanical calculations of magnetic behavior in molecules are present in the
literature dating at least as far back as London's treatment of diamagnetic anisotropy in …
literature dating at least as far back as London's treatment of diamagnetic anisotropy in …
Polyfluorene-based semiconductors combined with various periodic table elements for organic electronics
LH Xie, CR Yin, WY Lai, QL Fan, W Huang - Progress in Polymer Science, 2012 - Elsevier
Polyfluorenes have emerged as versatile semiconducting materials with applications in
various polymer optoelectronic devices, such as light-emitting devices, lasers, solar cells …
various polymer optoelectronic devices, such as light-emitting devices, lasers, solar cells …
Aggregation in a high-mobility n-type low-bandgap copolymer with implications on semicrystalline morphology
R Steyrleuthner, M Schubert, I Howard… - Journal of the …, 2012 - ACS Publications
We explore the photophysics of P (NDI2OD-T2), a high-mobility and air-stable n-type
donor/acceptor polymer. Detailed steady-state UV–vis and photoluminescence (PL) …
donor/acceptor polymer. Detailed steady-state UV–vis and photoluminescence (PL) …
Femtosecond torsional relaxation
Molecular conformational reorganization following photon absorption is a fundamental
process driving reactions such as the cis–trans isomerization at the heart of the primary step …
process driving reactions such as the cis–trans isomerization at the heart of the primary step …
Molecular recognition of synthesized halogenated chalcone by calf thymus DNA through multispectroscopic studies and analysis the anti-cancer, anti-bacterial activity …
The present study aims to elucidate the anti-cancer, antimicrobial activity of synthesized
halogenated chalcones (1f, 1h, 1i) and their molecular interaction with calf thymus DNA. All …
halogenated chalcones (1f, 1h, 1i) and their molecular interaction with calf thymus DNA. All …
Direct evidence of torsional motion in an aggregation-induced emissive chromophore
The aggregation induced emission (AIE) behavior shown by organic chromophores is very
interesting for the development of efficient solid state devices. The restriction of …
interesting for the development of efficient solid state devices. The restriction of …
Hot-hole cooling controls the initial ultrafast relaxation in methylammonium lead iodide perovskite
Understanding the initial ultrafast excited state dynamics of methylammonium lead iodide
(MAPI) perovskite is of vital importance to enable its fullest utilisation in optoelectronic …
(MAPI) perovskite is of vital importance to enable its fullest utilisation in optoelectronic …
What conjugated polyelectrolytes tell us about aggregation in polyelectrolyte/surfactant systems
The interaction between conjugated polyelectrolytes (CPEs) and surfactants in aqueous
solutions is reviewed, based on results from absorption and fluorescence spectroscopy …
solutions is reviewed, based on results from absorption and fluorescence spectroscopy …
Gel formation and interpolymer alkyl chain interactions with poly (9, 9-dioctylfluorene-2, 7-diyl)(PFO) in toluene solution: results from NMR, SANS, DFT, and …
Interactions between polymer chains of poly (9, 9-dioctylfluorene-2, 7-diyl)(PF8) have been
studied in toluene solution over a wide concentration range using multinuclear NMR …
studied in toluene solution over a wide concentration range using multinuclear NMR …
Molecular structure–property engineering of low‐band‐gap copolymers, based on fluorene, for efficient bulk heterojunction solar cells: A density functional theory …
A comprehensive theoretical study of new donor (D)–acceptor (A) copolymers properties
has been developed through quantum chemical calculations, on the basis of density …
has been developed through quantum chemical calculations, on the basis of density …