Results 111 to 120 of about 46,720 (301)

On the treatment of LUMO energies for their use as descriptors

SAR and QSAR in Environmental Research, 2013
Calculated energies of lowest unoccupied molecular orbitals (LUMOs) are frequently employed as descriptors in studies of quantitative structure-activity relationships and linear free energy relationships involving electron transfer. However, the quantum chemical programs with which these are carried out, whether Hartree-Fock or density functional ...
P. D. Burrow, MODELLI, ALBERTO
openaire   +3 more sources

Decoupling Activation and Preservation: Architectural Design Principles of Organic Frameworks for Selective Photocatalytic Methane Oxidation

Advanced Materials, EarlyView.
Selective methane (CH4) photooxidation emerges from architectural decoupling of activation and preservation. Programmable organic semiconductor frameworks spatially organize oxidative flux and intermediate residence, separating reaction zones from product domains to synchronize activation strength with stabilization and establish a selective oxidation ...
Minxian Zhang, Jie He, Jinqiang Zhang, Hongqi Sun, Shaobin Wang, Xiaoguang Duan   +5 more
wiley   +1 more source

Verkkokauppaprosessin kehittäminen - case: Lumo-kotikeskus Lahti [PDF]

, 2018
Opinnäytetyön aiheena oli verkkokauppaprosessin kehittäminen Lahden Lumo-kotikeskuksessa. Työn tavoitteena oli löytää keinoja, joiden avulla verkkokauppaprosessi saadaan toimimaan mahdollisimman hyvin.
Tuomisto, Heikki
core  

Fluorinated Deep Eutectic Gel Electrolytes with Simultaneously Enhanced Mechanical Strength and Ionic Conductivity for Solid‐State Lithium Metal Batteries

Advanced Materials, EarlyView.
The synergistic integration of rigid polyacrylamide (PAM) and flexible poly(N,N‐dimethylacrylamide) (PDMA) phases offers exceptional toughness to suppress lithium dendrites, simultaneously enhancing mechanical strength and ionic conductivity. ABSTRACT Gel polymer electrolytes for lithium‐metal batteries face an inherent trade‐off between mechanical ...
Hao Long, Yuhao Liang, Ting He, Xueming Chen, Zimo Huang, Hao Chen, Shanqing Zhang   +6 more
wiley   +1 more source

Estimation of the HOMO-LUMO Separation [PDF]

, 1980
Bounds and approximate topological formulas are derived for the -HOMO-LUMO separation of alternant and non-alternant conjugated hydrocarbons and heteroconjugated ...
Gutman, I., A. Graovac, Graovac, A., I. Gutman   +3 more
core   +1 more source

Charge‐Encoded Sidechains Enable Deterministic Ion Ingress and Memory Retention in Organic Electrochemical Synaptic Transistors

Advanced Materials, EarlyView.
Organic electrochemical synaptic transistors based on sidechain‐engineered conjugated polyelectrolytes reveal that cationic sidechains enable efficient volumetric ion penetration and dense backbone doping, leading to enhanced transconductance and long‐term synaptic retention.
Haim Kwon, Jihyeon You, Chaeyeon Park, Dong Gue Roe, Ji Hyun Jung, Jeong Ho Cho, Han Young Woo   +6 more
wiley   +1 more source

Near-IR Emissive B-N Lewis Pair-Functionalized Anthracenes via Selective LUMO Delocalization in Extended Conjugated Dimer and Polymer [PDF]

Acenes are attractive as building blocks for low gap organic materials with applications, for example, in organic light emitting diodes, solar cells, bioimaging and diagnostics.
Kanglei, Liu, Frieder, Jaekle, Jaren, Harrell, Daisuke, Shimoyama, Piotr, Piotrowiak, Lujia, Fang, Roger, Lalancette, Jingyao, Zuo   +7 more
core   +1 more source

Origin of Dark Current Robustness in Photomultiplication Organic Photodetectors Enabled by Ionic Conjugated Electron‐Blocking Layers

Advanced Materials, EarlyView.
Ionic conjugated polyelectrolyte electron‐blocking layers enable photomultiplication organic photodetectors with dark current robustness up to −10 V and external quantum efficiencies exceeding 3000%. Fowler–Nordheim tunneling, interfacial dipole, trap density of states, and noise analyses reveal how ionic conjugated polyelectrolytes suppress electron ...
Yelim Kang, Min Hun Jee, Shuai Zhang, Sang Heon Lee, Jung Min Ha, Xingchao Zhao, Xiaoling Ma, Huiseong Shin, Changhwan Shin, Soonyong Lee, Fujun Zhang, Jae Won Shim, Han Young Woo   +12 more
wiley   +1 more source

Protein Corona Formation on Soft Nanocarriers Under Biomimetic Circulatory Flow

Advanced Materials Interfaces, EarlyView.
A biomimetic venous circulation system is developed to study protein corona formation on soft nanocarriers under physiological shear. Liposomes, PLGA nanoparticles, and lipid‐polymer hybrid nanoparticles acquire largely shared but material‐dependent protein coronas that alter surface properties and suppress cellular uptake, highlighting the importance ...
Anamarija Nikoletić, Dominik Simon Müller, Timon Flathmann, Jakob Steuer, Evangelos Natsaridis, Chiara Candino, Abdullah Kahraman, Oya Tagit   +7 more
wiley   +1 more source

Haltijuuden lumo : kuvataidekasvatuksen virikemateriaalin tuottaminen moniammatillisessa yhteistyössä [PDF]

, 2011
Pro gradu -tutkielmani on toimintatutkimus Haltijuuden Lumo -projektissa syksyn 2009 ja kevään 2011 välisenä aikana. Haltijuuden Lumo -projektin ja pro gradu tutkielmani tehtävänä on ollut suunnitella ja toteuttaa kuvataidekasvatukseen virikemateriaali ...
Vartio-Viljakainen, Pirkko
core