Results 21 to 30 of about 1,811,886 (362)

Dihedral-Angle-Controlled Crossover from Static Hole Delocalization to Dynamic Hopping in Biaryl Cation Radicals [PDF]

, 2016
In cases of coherent charge-transfer mechanism in biaryl compounds the rates follow a squared cosine trend with varying dihedral angle. Herein we demonstrate using a series of biaryl cation radicals with varying dihedral angles that the hole ...
Bates, Benniston, Brunschwig, Cui, Hanss, Heckmann, Mishchenko, Mulliken, Rathore, Rathore, Rathore, Reed, Scholes, Shukla, Spettel, Talipov, Talipov, Talipov, Talipov, Talipov, Venkataraman, Vonlanthen, Weinhold, Zhai, Zhai   +24 more
core   +2 more sources

Dihedral-torsion model potentials that include angle-damping factors. [PDF]

RSC Adv
Manz TA.
europepmc   +2 more sources

4-Nitro­phenyl 2-chloro­benzoate [PDF]

, 2012
The aromatic rings in the title compound, C13H8ClNO4, enclose a dihedral angle of 39.53 (3)°. The nitro group is almost coplanar with the ring to which it is attached [dihedral angle = 4.31 (1)°].
Akhter, Toheed, Akhter, Zareen, Bolte, Michael, Iqbal, Asma, Siddiqi, Humaira Masood   +4 more
core   +2 more sources

A stereoscopic method for dihedral angle measurement [PDF]

Journal of Materials Science, 2005
A new method is presented for the measurement of equilibrium dihedral angles in intergranular inclusions, and illustrated with pure copper containing 1 wt% lead. The method is based on the selective dissolution of inclusions visible along a polished metallographic section.
Felberbaum, L., Rossoll, A., Mortensen, A.   +2 more
openaire   +3 more sources

Retinal location and structure in squid rhodopsin [PDF]

, 2021
In order to understand retinal we calculated the dihedral angles around carbon axis IOC-12C, since two different carbon sequences 9C-10C-11C-12C and 10C-11C-12C-13C exist. We also calculated the distances between two specified carbon pairs. Those results
Kito, Masashi, Maddess, Ted, Nagai, Yoshinori   +2 more
core  

Curvature representation of the gonihedric action [PDF]

, 1996
We analyse the curvature representation of the gonihedric action $A(M)$ for the cases when the dependence on the dihedral angle is arbitrary.Comment: 10 pages, LaTeX, 3 embedded figures with psfig, submitted to Phys.Lett.
Ambartzumian R. V., G Koutsoumbas, G. K Savvidy, K. G Savvidy, Santalo L. A., Schneider R., Steiner J.   +6 more
core   +2 more sources

4-(4-Nitrophenoxy)biphenyl [PDF]

, 2009
The two phenyl rings of the biphenyl unit of the title compound, C18H13NO3, are almost coplanar [dihedral angle 6.70 (9)°]. The nitrophenyl ring, on the other hand, is significantly twisted out of the plane of the these two rings, making dihedral angles ...
Akhter, Toheed, Akhter, Zareen, Baig, M. Amin, Bolte, Michael, Siddiqi, Humaira Masood   +4 more
core   +3 more sources

Computing second-order scattering of obtuse dihedral for any incident angle

The Journal of Engineering, 2019
In this study, the second-order scattering area and field of obtuse dihedral is derived in detail. The obtuse angle, interior angle of dihedral, breaks the symmetry of the two plates in some extent, thus making the illumination case of double bounce more
Haibo Song, Gongjian Wen
doaj   +1 more source

Dihedral Angle Control of Blue Thermally Activated Delayed Fluorescent Emitters through Donor Substitution Position for Efficient Reverse Intersystem Crossing.

ACS Applied Materials and Interfaces, 2018
This study shows a molecular design strategy for controlling the dihedral angle of two carbazole donors linked to a 2,4-diphenyl-1,3,5-triazine acceptor by a phenyl unit.
C. Oh, Daniel de Sa Pereira, S. Han, Hee-Jun Park, Heather F. Higginbotham, A. Monkman, Jun Yeob Lee   +6 more
semanticscholar   +1 more source

Feature selection for protein dihedral angle prediction [PDF]

2017 9th International Conference on Computational Intelligence and Communication Networks (CICN), 2017
Three-dimensional structure prediction has crucial importance for bioinformatics and theoretical chemistry. One of the main steps of three-dimensional structure prediction is dihedral (torsion) angle prediction. As new feature extraction methods are developed the dimension of the input space increases considerably yielding longer model training and ...
Aydin, Zafer, Kaynar, Oguz, Gormez, Yasin   +2 more
openaire   +3 more sources