Results 41 to 50 of about 66,179 (347)

QUANTUM CHEMICAL STUDY ON TWO BENZIMIDAZOLE DERIVATIVES

Journal of Amasya University the Institute of Sciences and Technology, 2020
A quantum theoretical study was done on two of benzimidazole derivatives to calculate the energetic behavior of the compounds in the gas phase, where (the density functional theory (DFT), Becke’s three-parameter exchange function and the Lee-Yang-Parr ...
Fatma Kandemirli, Zaid Al-sawaff, Hakan Sezgin Sayıner   +2 more
doaj  

Paradigman sietämätön lumo

Media & Viestintä, 1989
Pertti Hemánus
doaj   +1 more source

The Comparison of Primary, Secondary and Tertiary Amine Ligands on Palladium (II) Complex Ion on Thermo-Physical, Chemical Reactivity, and Biological Properties: A DFT Study

Cumhuriyet Science Journal, 2019
The Palladium is consideredas the catalyst for coupling reaction and useful metal in industry. Thethermo-physical, chemical reactivity and biological interaction are consideredthe most expected parameters for use in any area of the chemical industry ...
Md. Nuruzzaman Sarker, Sunanda Paul, Mohammad Jahidul Islam, Ajoy Kumer   +3 more
doaj   +1 more source

Similarity Measurement and Classification of Temporal Data Based on Double Mean Representation

Algorithms, 2023
Time series data typically exhibit high dimensionality and complexity, necessitating the use of specific approximation methods to perform computations on the data.
Zhenwen He, Chi Zhang, Yunhui Cheng
doaj   +1 more source

Modulating Two‐Photon Absorption in a Pyrene‐Based MOF Series: An In‐Depth Investigation of Structure–Property Relationships

Advanced Functional Materials, EarlyView.
This study investigates H4TBAPy‐based metal–organic frameworks (MOFs) ‐ NU‐1000, NU‐901, SrTBAPy, and BaTBAPy ‐ for multiphoton absorption (MPA) performance. It observes topology‐dependent variations in the 2PA cross‐section, with BaTBAPy exhibiting the highest activity.
Simon N. Deger, Helmy Pacheco Hernandez, Yang Cui, Hongxing Hao, Vanessa Ramm, David C. Mayer, Khai‐Nghi Truong, Roland A. Fischer, Jürgen Hauer, Mariana Kozlowska, Alexander Pöthig   +10 more
wiley   +1 more source

A combined experimental and theoretical study on vibrational and electronic properties of (5-methoxy-1H-indol-1-yl)(5-methoxy-1H-indol-2-yl)methanone

Open Chemistry, 2017
(5-Methoxy-1H-indol-1-yl)(5-methoxy-1H-indol-2-yl)methanone (MIMIM) is a bis-indolic derivative that can be used as a precursor to a variety of melatonin receptor ligands.
Al-Wabli Reem I., Govindarajan Munusamy, Almutairi Maha S., Attia Mohamed I.   +3 more
doaj   +1 more source

The Nexus Between Electricity Consumption, Economic Growth, and CO₂ Emission: An Asymmetric Analysis Using Nonlinear ARDL and Nonparametric Causality Approach

Energies, 2020
This article examines the asymmetric relationship between electric consumption, economic growth, and carbon dioxide emission in 15 countries over the period 1971−2014.
Philip Chukwunonso Bosah, Shixiang Li, Gideon Kwaku Minua Ampofo, Daniel Akwasi Asante, Zhanqi Wang   +4 more
doaj   +1 more source

Band Alignment in In‐Oxo Metal Porphyrin SURMOF Heterojunctions

Advanced Functional Materials, EarlyView.
Porphyrin core metalation in indium‑oxo SURMOFs enables systematic tuning of band edge positions without altering the crystal structure. First‑principles calculations reveal type‑I and type‑II heterostructures as well as multi‑junction energy cascades, establishing a modular strategy for exciton funneling and charge separation in optoelectronic ...
Puja Singhvi, Nina Vankova, Thomas Heine
wiley   +1 more source

Photoswitching Conduction in Framework Materials

Advanced Functional Materials, EarlyView.
This mini‐review summarizes recent advances in state‐of‐the‐art proton and electron conduction in framework materials that can be remotely and reversibly switched on and off by light. It discusses the various photoswitching conduction mechanisms and the strategies employed to enhance photoswitched conductivity.
Helmy Pacheco Hernandez, Stefan Hecht, Wolfgang Wenzel, Lars Heinke, Mariana Kozlowska   +4 more
wiley   +1 more source

Correction: Does luteal phase support in MOH-IUI treatment improve cumulative live birth rates in couples with unexplained subfertility? Study protocol of the LUMO study: a multicentre, randomised, double-blind, controlled trial with cost-effectiveness analysis. [PDF]

BMJ Open
europepmc   +3 more sources