Results 51 to 60 of about 42,472 (344)

Sulfate radical anion-induced benzylic oxidation of N-(arylsulfonyl)benzylamines to N-arylsulfonylimines

Beilstein Journal of Organic Chemistry, 2023
A mild, operationally convenient, and practical method for the synthesis of synthetically useful N-arylsulfonylimines from N-(arylsulfonyl)benzylamines using K2S2O8 in the presence of pyridine as a base is reported herein. In addition, a “one-pot” tandem
Joydev K. Laha, Pankaj Gupta, Amitava Hazra   +2 more
doaj   +1 more source

ChemInform Abstract: THE REACTION OF HYDROGEN ATOMS WITH ACETYLENE [PDF]

Chemischer Informationsdienst, 1975
Abstract The addition of hydrogen atoms to acetylene has been investigated at room temperature. The relative rate constant for &H+C_2H_4→C_2H_5, \labeleq1 &H+C_2H_2→C_2H_3, \labeleq2 was found to be k1/k2=9.99±0.16.
Yoshimasa Takezaki, Toshio Ibuki
openaire   +3 more sources

Modeling the sorption dynamics of NaH using a reactive force field [PDF]

, 2008
We have parametrized a reactive force field for NaH, ReaxFFNaH, against a training set of ab initio derived data. To ascertain that ReaxFFNaH is properly parametrized, a comparison between ab initio heats of formation of small representative NaH clusters
Goddard, William A., III, Kramer, Gert Jan, Ojwang, J. G. O., van Duin, Adri C. T., van Santen, Rutger   +4 more
core  

Advancing Wildfire‐Retardant Materials: Engineering Strategies for Direct and Indirect Suppression

Advanced Engineering Materials, EarlyView.
Here, the evolution, ecological impact, and performance of current fire‐retardant materials and suppression strategies are reviewed, offering an engineering perspective to address existing challenges and propose pathways for the development of more effective, scalable, and sustainable solutions to meet the demands of a changing climate. Wildfires cause
Changxin Dong, Samya Sen, Athena Kolli, Stewart G. Wilson, Eric Andrew Appel   +4 more
wiley   +1 more source

Parametrization of a reactive force field for aluminum hydride [PDF]

, 2009
A reactive force field, REAXFF, for aluminum hydride has been developed based on density functional theory (DFT) derived data. REAXFF_(AlH_3) is used to study the dynamics governing hydrogen desorption in AlH_3.
Goddard, William A., III, Kramer, Gert Jan, Ojwang, J. G. O., van Duin, Adri C. T., van Santen, Rutger A.   +4 more
core  

Direct Detection of Products from the Pyrolysis of 2-Phenethyl Phenyl Ether [PDF]

, 2011
The pyrolysis of 2-phenethyl phenyl ether (PPE, C_6H_5C_2H_4OC_6H_5) in a hyperthermal nozzle (300-1350 °C) was studied to determine the importance of concerted and homolytic unimolecular decomposition pathways. Short residence times (
Carstensen, Hans-Heinrich, Daily, John W., Dayton, David C., Dean, Anthony M., Jarvis, Mark W., Nimlos, Mark R., Robichaud, David J., Sharma, Shantanu   +7 more
core   +2 more sources

Efficient and Scalable Radiative Cooling for Photovoltaics Using Solution‐Processable and Solar‐Transparent Mesoporous Nanoparticles

Advanced Functional Materials, EarlyView.
Graded refractive index (GRI) structures are prepared from the layer‐by‐layer spray coating of the mesoporous SiO2 nanoparticles, showing high solar transparency and thermal emissivity. Under outdoor conditions, after 50 days, the GRI‐coated photovoltaics show on average 6.65 ± 1.48 °C lower than that of the non‐coated references, maintaining 80.9 ± 8 ...
Heesuk Jung, Sung Yoon Min, Byungsoo Kang, Yongseok Yoo, Jihun Jang, Yeoun‐Woo Jang, Hyojeong Choi, Hyeong Won Lee, Swarup Biswas, Yongju Lee, Mansoo Choi, Phillip Lee, Min Seok Jang, Hyeok Kim, Shu Yang   +14 more
wiley   +1 more source

Electron Spin Resonance Study on Hydrogen Abstraction Reactions of Radiation-Induced Radicals in Synthetic Silica Clathrate with Ethylamine and Ethanol

Atoms
Intermolecular hydrogen abstraction reactions of radiation-induced radicals from guest molecules in adjacent cages, as observed in clathrate hydrates, were investigated in synthetic silica clathrate (clathrasil) with ethylamine and ethanol.
Shusuke Isogai, Kazuhiko Masuda, Kazuma Dan, Atsushi Tani, Sachiko Tojo   +4 more
doaj   +1 more source

Poly(1,4‐anthraquinone) as an Organic Electrode Material: Interplay of the Electronic and Structural Properties due to the Unusual Lone‐Pair‐π Conjugation

Advanced Functional Materials, Volume 35, Issue 12, March 18, 2025.
In this study, the unique role of the unusual lone‐pair‐π conjugation mechanism in poly(1,4‐anthraquinone) (P14AQ) is explored as an organic electrode material. Unlike traditional π‐π interactions, P14AQ's conjugation involves lone pairs of oxygen atoms interacting with the π cloud of adjacent units, enabling stable charge transport even with minimal π‐
Xiaotong Zhang, Piotr de Silva
wiley   +1 more source

Theoretical Study about the Effect of Halogen Substitution on the Reactivity of Antitumor 3-Formylchromones and Their Free Radicals

Journal of Chemistry, 2017
The mandatory presence of a chlorine atom on the aromatic ring of 6-hydroxy-3-formyl angular chromones, on the respiration inhibition of mammary carcinoma mouse, is explained through a computational study of these compounds.
Maximiliano Martínez-Cifuentes, Boris Weiss-López, Ramiro Araya-Maturana   +2 more
doaj   +1 more source