Results 111 to 120 of about 1,811,886 (362)
4-[(6-Chloro-2-pyridyl)methoxy]-3-(2,4-dichlorophenyl)-1-oxaspiro[4.5]dec-3-en-2-one
Acta Crystallographica Section E, 2009 In the title compound, C21H18Cl3NO3, the cyclohexane ring is in a chair conformation. The five-membered ring forms a dihedral angle of 69.89 (2)° with the benzene ring. The dihedral angle between the benzene and pyridine rings is 14.03&
Liang-zhong Xu +3 more
doaj +1 more source
Compact hyperbolic tetrahedra with non-obtuse dihedral angles [PDF]
Publicacions Matemàtiques, 2006 19 ...
openaire +6 more sources
Advanced Science, EarlyView.A molecular engineering strategy is developed to increase the stacking‐induced intermolecular charge transfer‐enhanced Raman scattering (SICTERS) intensity and photothermal conversion efficiency of electron donor‐acceptor‐donor (D–A–D) molecules. This approach enables to design SICTERS‐mediated photo‐theranostic agents for substrate‐free Raman image ...
Sheng Yu +9 more
wiley +1 more source
(2E)-3-(3-Bromo-4-methoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
Acta Crystallographica Section E, 2011 In the title compound, C16H12BrFO2, the dihedral angle between the aromatic rings is 23.75 (12)° and the dihedral angle between the prop-2-en-1-one fragment and the fluorobenzene ring is 20.9 (2)°.
Grzegorz Dutkiewicz +4 more
doaj +1 more source
A Torsional potential for graphene derived from fitting to DFT results
, 2017 We present a simple torsional potential for graphene to accurately describe its out-of-plane deformations. The parameters of the potential are derived through appropriate fitting with suitable DFT calculations regarding the deformation energy of graphene
Chatzidakis, Georgios D. +3 more
core +1 more source
Advanced Science, EarlyView.Correlation between coordination geometry and catalytic activity of carbonic anhydrase‐mimetic single‐atom Zn–N4 active sites is revealed. Among tetrahedral, distorted tetrahedral, and square‐planar Zn–N4 geometric configurations, the distorted tetrahedral Zn–N4 exhibits superior CO2 hydrolysis performance. This is attributed to increased Lewis acidity,
Hyesung Lee +5 more
wiley +1 more source
tert-Butyl 4-({[(E)-1,3-dimethyl-5-phenoxypyrazol-4-yl]methyl}aminooxymethyl)benzoate
Acta Crystallographica Section E, 2008 The title compound, C24H27N3O4, also known as fenpyroximate, is a commercial acaricide. The benzene ring of the phenoxy group is approximately perpendicular to the pyrazole ring with a dihedral angle of 84.37 (11)°. The dihedral angle between
Na Fu +4 more
doaj +1 more source
Advanced Science, EarlyView.The donor engineering strategy enhances the planarity of the π‐conjugated molecular framework, thereby promoting stronger intramolecular charge transfer (ICT). This structural refinement in FBDFDPA leads to a pronounced bathochromic shift in absorption from the NIR‐I to the NIR‐II region, enabling effective photothermal therapy (PTT) for tumors within ...
Kang Xu +8 more
wiley +1 more source
Crystal structure of 4-(2,2-dimethylpropanamido)pyridin-3-yl N,N-diisopropyldithiocarbamate
Acta Crystallographica Section E, 2014 In the title compound, C17H27N3OS2, the amide group is approximately coplanar with the pyridine ring [dihedral angle = 1.6 (1)°], whereas the dithiocarbamate group is nearly perpendicular to the pyridine ring [dihedral angle = 76.7 (1)°]. In the crystal,
Gamal A. El-Hiti +4 more
doaj +1 more source
Asymmetric dihedral angle offsets for large-size lunar laser ranging retroreflectors
, 2011 The distribution of two-dimensional velocity aberration is off-centered by 5 to 6 microradians in lunar laser ranging, due to the stable measurement geometry in the motion of the Earth and the Moon.
T. Otsubo +5 more
semanticscholar +1 more source