Results 291 to 300 of about 1,811,886 (362)

Circularly Polarized Luminescence Liquids Based on Siloxybinaphthyls: Best Binaphthyl Dihedral Angle in the Excited State.

Angewandte Chemie, 2021
A series of axially chiral 1,1'-binaphthyls with trialkylsiloxy (OSiR 3 ) groups were synthesized. Among them, 1a - c possessing OSiR 3 groups at the 7,7'-positions and methyl groups at the 2,2'-positions were liquids at room temperature, and the neat ...
Kazuto Takaishi, Tomoki Matsumoto, Miyu Kawataka, T. Ema   +3 more
semanticscholar   +1 more source

Ethylene Glycol Dihedral Angle Dynamics: Relating Molecular Conformation to the Raman Spectrum of the Liquid.

Journal of Physical Chemistry B, 2021
The central OCCO dihedral of the ethylene glycol (EG) molecule exists in both trans and gauche geometries in the liquid. The presence of the trans conformer had been inferred from the Raman spectra by interpreting the occurrence of bands in the Raman ...
A. Jindal, S. Vasudevan
semanticscholar   +1 more source

Algorithms to apply dihedral-angle constraints in molecular or stochastic dynamics simulations.

Journal of Chemical Physics, 2020
Various algorithms to apply dihedral-angle constraints in molecular dynamics or stochastic dynamics simulations of molecular systems are presented, investigated, and tested.
M. Pechlaner, W. V. van Gunsteren
semanticscholar   +1 more source

Retroreflector with acute dihedral angles

Optics Letters, 1994
An acute-angle retroreflector having three dihedral angles of 45, 60, and 90 deg was studied by use of the ray-trace method. Incident rays are reflected nine times in the retroreflector, and there are 26 different sequences for reflections. Errors in the dihedral angles will cause the directions of the reflected rays to diverge.
Nobuo Sugimoto, Atsushi Minato
openaire   +3 more sources

Large Increase in External Quantum Efficiency by Dihedral Angle Tuning in a Sky‐Blue Thermally Activated Delayed Fluorescence Emitter

Advanced Optical Materials, 2019
Efficient and stable blue emitters for organic light‐emitting diodes are urgently needed for next‐generation display and lighting applications. The discovery of thermally activated delayed fluorescence (TADF) has revealed a new class of promising ...
Wenliang Huang, Markus Einzinger, Andrea Maurano, Tianyu Zhu, Jan Tiepelt, Chao Yu, H. Chae, T. Van Voorhis, M. Baldo, S. Buchwald   +9 more
semanticscholar   +1 more source

Hamiltonian Reweighing to refine Protein Backbone Dihedral-Angle Parameters in the GROMOS Force Field.

Journal of Chemical Information and Modeling, 2019
Molecular dynamics simulations of proteins depend critically on the underlying force field, which may be parameterized against experimental data or high-quality quantum calculations.
M. Diem, C. Oostenbrink
semanticscholar   +1 more source

Dihedral angles between alveolar septa

Journal of Applied Physiology, 1988
To determine the dihedral angle, alpha, at the characteristic three-way septal junctions of lung parenchyma, we examined photomicrographs of sections. The three angles, A, formed where three septal traces meet on section, were measured and found to range between approximately 50 and 170 degrees. Theoretical considerations predicted that the dispersion
E. H. Oldmixon, F. G. Hoppin, James P. Butler   +2 more
openaire   +3 more sources

Dihedral Angles in Cyclic Molecules

Journal of Structural Chemistry, 2003
The experimental and quantum-chemical values of dihedral angles are analyzed for mono- and bicyclic molecules. Correlations have been found for the bond and dihedral angles.
Lev V. Vilkov, E. G. Atavin
openaire   +2 more sources

Dihedral angles in silicon carbide

Ceramics International, 2003
The commonly accepted hypothesis says that the role of sintering activators such as carbon and boron consists in modifying the relation between the energy of surface and that of grain boundaries in SiC. This means that dihedral angles in samples containing one of the activators, both of them or none should be different.
Ludosław Stobierski, Agnieszka Gubernat
openaire   +2 more sources

THE EXPONENTIAL BEHAVIOUR OF THE GREEN FUNCTION IN A DIHEDRAL ANGLE

Communications in Contemporary Mathematics, 2001
We study the behaviour of the Green function of the heat problem in a dihedral angle with oblique (or Neumann) conditions on the faces. The uniform estimates obtained for the Green function and its derivatives show, in particular, the exponential decay at infinity, as in the parabolic problems in regular domains.
M. G. GARRONI, V. A. SOLONNIKOV, VIVALDI, Maria Agostina   +2 more
openaire   +3 more sources