Results 261 to 270 of about 23,182 (295)

Precise Structure Regulation Induced Morphological Ordering Enables All-Polymer Solar Cells With 20.29% Efficiency and Extreme Mechanical Robustness. [PDF]

Angew Chem Int Ed Engl
Gao H, Sun L, Sun Y, Wang L, Ma X, Zu M, Zou X, Kan Y, Wang X, Yang R, Wan X, Feng Y, Gao K, Chen Y.   +13 more
europepmc   +1 more source

Thermally activated delayed fluorescence in neutral and cationic stages of aza-nanographene decorated with 6.6.6 defects. [PDF]

Chem Sci
Suku RV, Serdiuk IE, Dzieszkowski K, Orzeł Ł, Kijewska M, Muzioł TM, Siczek M, Pawlicki M.   +7 more
europepmc   +1 more source

Decoding non-fullerene acceptors for organic solar cells: a theoretical structure-property-performance perspective. [PDF]

RSC Adv
Murtaza HU, Sultan N, Janjua MRSA.
europepmc   +1 more source

Di-ortho-fluoroazobenzene Functionalized Discotic Nematic Liquid Crystals as Soft Ambipolar Semiconductors. [PDF]

Chem Asian J
Ashy, Swati, Dubois F, Singh DP, Gupta M.   +4 more
europepmc   +1 more source

Enhanced photodetection <i>via</i> π-bridge tuning and intramolecular non-covalent interactions in non-fused electron acceptors. [PDF]

RSC Adv
Kaliyaperumal R, Shaik N, Orugu VT, Walke AU, Narayanaswamy K, Mukhopadhyay S.   +5 more
europepmc   +1 more source

Multiphoton Absorption Spectra of Channelrhodopsin-2 via Multiscale Simulation Methods. [PDF]

J Chem Theory Comput
Carrasco-Busturia D, Linares M, Norman P, Haugaard Olsen JM.   +3 more
europepmc   +1 more source

On planarity and similarity restraints

Journal of Applied Crystallography, 2001
Planarity and similarity restraints are described using a unified framework for the computation layout. In both cases, the gradient and Hessian of the restraint residual with respect to atomic coordinates are derived.
E Blanc
exaly   +2 more sources

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Planar Separators

SIAM Journal on Discrete Mathematics, 1994
A separator in a graph \(G\) is a partition \((A,B,C)\) of \(V(G)\) such that \(| A|\), \(| B|\leq {2\over 3}| V(G)|\) and no vertex in \(A\) is adjacent to any vertex in \(B\); its order is \(| C|\). The authors give a short proof of a theorem of Lipton and Tarjan that for any planar graph with \(n\) vertices there is a separator of order \(\leq 2 ...
Noga Alon, Paul D. Seymour, Robin Thomas 0001   +2 more
openaire   +2 more sources

Planar and non-planar borepins

Molecular Physics, 1996
Theoretical studies of borepin and its B-substituted derivatives show planar structures with weak out-of-plane bending modes, often leading to boat-shaped borepins. The lowest vibrational frequency of borepin is 167 cm-1 at both HF/6-31G* and MP2/6-31G* levels, compared to 248 cm-1 calculated for the isoelectronic tropylium ion.
JEROME SCHULMAN, RAYMOND DISCH
openaire   +2 more sources