Results 81 to 90 of about 115,311 (290)

Functionalization of Silicon Surface by Thiadiazole Molecule : a DFT Study

, 2018
The first principles density functional theory (DFT) calculations have been used to investigate the atomic and electronic properties of thiadiazole adsorption on the Si(001) surface.
Kaderoglu, Cagil
core   +1 more source

Spontaneous Non‐Catalyzed Molecular Reactions and Interactions in the Human Body: Biomedical Implications

Advanced Science, EarlyView.
ABSTRACT The human body functions as a natural reactor for a vast network of chemical and biological reactions and physical interactions among small molecules, proteins, cells, and numerous other components. These reactions/interactions are essential for maintaining normal physiological functions.
Yuhao Cai, Chao Zhao
wiley   +1 more source

High-level Computational Study of the Site-, Facial- and Stereoselectivities for the Diels-Alder Reaction Between o-Benzoquinone and Norbornadiene

Molecules, 2000
Ab initio and DFT quantum chemical calculations have been applied to a study of the Diels-Alder reaction of o-benzoquinone as diene and norbornadiene as dienophile.
Ronald N. Warrener, Martin R. Johnston, Davor Margetic   +2 more
doaj   +1 more source

Ferrocene-derived P,N ligands : synthesis and application in enantioselective catalysis [PDF]

, 2013
Due to their unique steric and electronic properties, air-stability and modular structure, chiral hybrid P,N-ferrocenyl ligands play a prominent role in the field of asymmetric catalysis.
Noël, Timothy, Van der Eycken, Johan
core   +1 more source

A Triple‐Nanoparticle System for Controlled Graphene Nanosheet Stacking: Enabling K/Na‐Ion Battery Anodes with Ultra‐Fast Charging Exceeding Petroleum Vehicle Refueling

Advanced Science, EarlyView.
ABSTRACT Large‐ion (K, Na) battery systems mitigate uneven global lithium distribution, while their ability to attain recharge time shorter than refueling would remove the final barrier for secondary batteries to replace petroleum vehicles. However, their large‐ion chemistry makes ultra‐fast charging an even significant challenge.
Shukai Ding, Le Zhang, Hang Li, Yang Zhang, Guoquan Suo, Bin Han, Dongfeng Sun, Wenqi Zhao, Gaohui Du, Qingmei Su, Bingshe Xu, Zhen Xu, Wei Wang   +12 more
wiley   +1 more source

Charge-Transfer Forces in the Self-Assembly of Heteromolecular Reactive Solids:  Successful Design of Unique (Single-Crystal-to-Single-Crystal) Diels−Alder Cycloadditions [PDF]

, 2001
Electron donor/acceptor (EDA) interactions are found to be a versatile methodology for the engineering of reactive heteromolecular crystals. In this way, a series of the charge-transfer π-complexes between bis(alkylimino)-1,4-dithiin acceptors and ...
Kim, J. H., Kochi, Jay K., Lindeman, Sergey V.   +2 more
core   +1 more source

Chemoenzymatic Synthesis of Triazololactams Structurally Related to Pancratistatin [PDF]

, 2017
Four tricyclic lactams that structurally resemble alkaloids with the pancratistatin skeleton were synthetized from bromobenzene by a chemoenzymatic strategy.
Bastida, Bellomo, Bellomo, Bellomo, Bellomo, Bellomo, Brovetto, Brovetto, Cao, Carless, Carrau, Carrera, Carrera, Chrétien, Desjardins, Ghavre, Gibson, Gibson, Goietsenoven, Griffen, Griffin, He, Hudlicky, Hudlicky, Hudlicky, Hudlicky, Kolb, Kornienko, la Sovera, la Sovera, la Sovera, Labora, Lamoral-Theys, Ma, Ma, Ma, McNulty, Plietker, Rinner, Staudinger, Thevenet, Tian, Vila, Vshyvenko, Vshyvenko, Vshyvenko, Vshyvenko, Wu, Yadav   +48 more
core   +1 more source

Advances and Perspectives in Graphene‐Based Quantum Dots Enabled Neuromorphic Devices

Advanced Science, EarlyView.
Graphene‐based QDs are zero‐dimensional carbon nanomaterials with pronounced quantum confinement and tunable electronic structures. Herein, we summarize their synthesis strategies and functionalization methods, and highlight their functional roles and operating mechanisms in devices, as well as recent advances in neuromorphic electronics. We anticipate
Yulin Zhen, Wei Zeng, Zherui Zhao, JiYu Zhao, Ziyan Huang, Zhuo Chen, Kui Zhou, Guanglong Ding, Su‐Ting Han, Ye Zhou   +9 more
wiley   +1 more source

Toward Multi(radio)metalated DNA: Enzymatic Polymerization of Metal‐Chelate‐Modified Deoxyribonucleoside Triphosphates

Angewandte Chemie, EarlyView.
This work presents the first enzymatic polymerization of defined metal‐chelator‐modified nucleotides that leverage polymerase fidelity for uniform (radio)metal loading with successful incorporation of five different metals: Ga, In, Tb, Lu, and Y.
Antonio A. W. L. Wong, François Bénard, David M. Perrin   +2 more
wiley   +2 more sources

On the strong difference in reactivity of acyclic and cyclic diazodiketones with thioketones: experimental results and quantum-chemical interpretation [PDF]

, 2015
The 1,3-dipolar cycloaddition of acyclic 2-diazo-1,3-dicarbonyl compounds (DDC) and thioketones preferably occurs with Z,Econformers and leads to the formation of transient thiocarbonyl ylides in two stages.
Holleman, Huisgen, Korobizina, Mlostoń, Mlostoń, Mlostoń, Nikolaev, Nikolaev, Zollinger   +8 more
core   +4 more sources