Results 161 to 170 of about 27,503 (307)

Bay‐functionalized [7]Helicene Bilayer Nanographenes

Advanced Optical Materials, EarlyView.
Bay‐functionalized [7]helical bilayer nanographenes are synthesized via a scalable, modular strategy enabling late‐stage diversification. Tailored methoxy, diketone, and phenazine substitutions precisely tune redox, photophysical, and chiroptical properties, delivering strong electronic circular dichroism and bright circularly polarized luminescence ...
Anmol Thanai, Vikas Sharma, Louis Minion, Hassan Khan, Hadeel Abbas, George F. S. Whitehead, Avantika Hasija, Jessica Wade, Matthew John Fuchter, Ashok Keerthi   +9 more
wiley   +1 more source

Solvent Effect On Electronic Transitions, Ph Effect, Theoretical Uv Spectrum, Homo Lumo Analysis Of 2,4-Dihydroxy-5- Fluoropyrimidine

, 2015
Iosr Journals, Richa Sharma, Brijesh Singh Yadav   +2 more
openalex   +1 more source

Toward the Synthetic Control of the HOMO−LUMO Gap in Binuclear Systems: Insights from Density Functional Calculations

, 2010
Alvaro Muñoz‐Castro, Desmond MacLeod‐Carey, Cesar Morales‐Verdejo, I. Chávez, Juan M. Manríquez, Ramiro Arratia‐Pérez   +5 more
openalex   +2 more sources

Substituent Effects on Cyanine Dyes Vary with Position and Chain Length

Advanced Optical Materials, EarlyView.
In cyanines, substituent effects vary as a function of substituent position and cyanine length. Electron‐donating‐ and ‐withdrawing groups at meso‐ and α‐positions of 4n+1/4n−1 long cyanines (n = 1, 2, 3…) cause opposing, hypsochromic and bathochromic shifts of the 1st UV–vis absorption bands.
David Dunlop, Rebecca Strada, Peter Šebej   +2 more
wiley   +1 more source

Kinetically stabilized 1,3-diarylisobenzofurans and the possibility of preparing large, persistent isoacenofurans with unusually small HOMO-LUMO gaps. [PDF]

Beilstein J Org Chem
Liu Q, Miller GP.
europepmc   +1 more source

High-voltage lithium-metal batteries enabled by ethylene glycol bis(propionitrile) ether-LiNO₃ synergetic additives. [PDF]

Chem Sci, 2023
Li S, Huang K, Wu L, Xiao D, Long J, Wang C, Dou H, Chen P, Zhang X.   +8 more
europepmc   +1 more source

Extension of the Scretching Quantum Chain to Molecular Systems: Diatomics, Polyatomics, HOMO-LUMO Gaps, Polarizability, and Vibrational Frequencies from First Principles Without Empirical Parameters

Scretching Daniel
openalex   +1 more source

Molecular structure, NBO analysis, ï¬rst hyper polarizability, and homo-lumo studies of Ï€-extended tetrathiafulvalene (EXTTF) derivatives connected to Ï€-nitro phenyl by density functional method

, 2018
Tahar Abbaz, Amel Bendjeddou, Didier Villemin   +2 more
openalex   +2 more sources

Highly Efficient Pure‐Blue Single‐Layer Organic Light‐Emitting Diodes Without High‐Triplet‐Energy Auxiliary Materials

Advanced Optical Materials, EarlyView.
Blue organic light‐emitting diodes (OLEDs) comprising triplet‐harvesting emitters require the use of high‐triplet‐energy hosts and blocking layers to confine the triplet excitons to the emitter. Here, we present efficient single‐layer blue hyperfluorescent OLEDs comprising solely of a matrix‐free emissive layer between two charge‐injecting electrodes ...
Xiao Tan, Manish Kumar, Oskar Sachnik, Rishabh Saxena, Paul W. M. Blom, Gert‐Jan A. H. Wetzelaer   +5 more
wiley   +1 more source

Correlation between Molecular Docking and the Stabilizing Interaction of HOMO-LUMO: Spirostans in CHK1 and CHK2, an In Silico Cancer Approach. [PDF]

Int J Mol Sci
Rosales-López A, López-Castillo GN, Sandoval-Ramírez J, Terán JL, Carrasco-Carballo A.   +4 more
europepmc   +1 more source