Results 1 to 10 of about 349,748 (311)

Theoretical calculation of a TiO2-based photocatalyst in the field of water splitting: A review

Nanotechnology Reviews, 2020
Currently, energy and environmental problems are becoming more serious. The use of solar energy to split water and produce clean, renewable hydrogen as an energy source is a feasible and effective approach to solve these problems.
Li Bianhong, Wu Shaofeng, Gao Xiangsheng
doaj   +2 more sources

Theoretical Study on the Conformational Equilibrium of 1’, 2' and 3'-Nitro-4-hydroxy-3-methoxy Chalcone Isomers

Orbital: The Electronic Journal of Chemistry, 2021
This paper presents the conformational analysis of three chalcone compounds, 1'-nitro-4-hydroxy-3-metoxychalcoea (o-CHAL), 2'-nitro-4-hydroxy-3-metoxychalcone (m-CHAL) and 3'-nitro-4-hydroxiy3-metoxychalcone (p-CHAL).
Hualace Vinicius Emiliano, Raphaela Pereira Guaringue, Thiago de Castro Rozada, Barbara Celânia Fiorin   +3 more
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Bhabha process at LEP — theoretical calculations* [PDF]

Nuclear Physics B - Proceedings Supplements, 1996
In this contribution we give a short overview of the situation in the precision calculation of the Bhabha process and we present a preliminary numerical result on the second-order sub-leading correction to the small angle Bhabha process.
Jadach, S., Melles, M., Ward, B. F. L., Yost, S. A.   +3 more
openaire   +2 more sources

Study on Inertia Load Resistance Analysis Method of Light Truck Door Latch

Applied Sciences, 2022
Aiming at the problem of door opening caused by the unlocking of the side door latch system under the action of inertial force when the car is in a side impact, this paper takes a light truck door latch as the research object, and proposes an inertia ...
Jian Hu, Lei Xu, Sangdu Guo, Yiming Sun, Gangyan Li   +4 more
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AUTOLISP FUNCTION FOR DIMENSIONING CHAMFERS IN AUTOCAD

Journal of Industrial Design and Engineering Graphics, 2021
AutoCAD, one of the most popular drawing programs, has enriched over time the facilities offered in making drawings in terms of how to use different graphics, symbols, accuracy, speed, interface, etc.
Iulius Stroe, Elena Ionita
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Design of a Novel Series of Hetero-Binuclear Superhalogen Anions MM′X4− (M = Li, Na; M′ = Be, Mg, Ca; X = Cl, Br)

Frontiers in Chemistry, 2022
A series of hetero-binuclear superatom motifs involving chloride/bromide ligands, that is, MM′X4− (M = Li, Na; M′ = Be, Mg, Ca; X = Cl, Br) anions, have been characterized by using many-body perturbation theory calculations.
Hui Yang, Hui-Min He, Ning Li, Shang Jiang, Min-Jun Pang, Ying Li, Jian-Guo Zhao   +6 more
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A Computational Study on the Mechanism of Catalytic Cyclopropanation Reaction with Cobalt N-Confused Porphyrin: The Effects of Inner Carbon and Intramolecular Axial Ligand

Molecules, 2022
The factors that affect acceleration and high trans/cis selectivity in the catalytic cyclopropanation reaction of styrene with ethyl diazoacetate by cobalt N-confused porphyrin (NCP) complexes were investigated using density functional theory ...
Osamu Iwanaga, Mayuko Miyanishi, Toshihiro Tachibana, Takaaki Miyazaki, Yoshihito Shiota, Kazunari Yoshizawa, Hiroyuki Furuta   +6 more
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Insight into the Formation of Cocrystal and Salt of Tenoxicam from the Isomer and Conformation

Pharmaceutics, 2022
Tenoxicam (TNX) is a new non-steroidal anti-inflammatory drug that shows a superior anti-inflammatory effect and has the advantages of a long half-life period, a fast onset of action, a small dose, complete metabolism, and good tolerance.
Yifei Xie, Penghui Yuan, Tianyu Heng, Lida Du, Qi An, Baoxi Zhang, Li Zhang, Dezhi Yang, Guanhua Du, Yang Lu   +9 more
doaj   +1 more source

Synthesis and Theoretical Calculations of Benzoic Acid-Based New Mono Azo Dye

Süleyman Demirel Üniversitesi Fen-Edebiyat Fakültesi Fen Dergisi, 2022
This study describes the synthesis, characterization and theoretical calculation of 3,5-dihydroxy-2-(naphthalen-2-yldiazenyl) benzoic acid. The synthesized compound was obtained through efficient synthetic route using 2-Naphthylamine and 3,5 ...
Mehmet Ulutürk, Çiğdem Karabacak Atay
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Synthesis, Optical Properties, and Fluorescence Cell Imaging of Novel Mixed Fluorinated Subphthalocyanines

Molecules, 2023
Subphthalocyanines (SubPcs) are a kind of tripyrrolic macrocycle with a boron atom at their core. Incorporating different units onto the SubPc periphery can endow them with various unique properties.
Shutong Zhou, Xiaojuan Lv, Minghui Li, Zijian Gao, Shengnan Tu, Shanshan Qiao, Mengjia Mo, Xu Tang, Yemei Wang, Shasha Sun   +9 more
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