Results 1 to 10 of about 78,220 (312)

Halogen–Halogen Nonbonded Interactions [PDF]

ACS Omega, 2021
Halogen-halogen nonbonded interactions were studied for methyl halides and phenyl halides using both B3LYP and MP2 along with 6-311+G* and aug-cc-pVTZ. With the methyl halides, the linear approach was found to lead to little stabilization, whereas the "90°" approach gave 1-2 kcal/mol. This modest stabilization was due to long-range electron correlation
Kenneth B. Wiberg
doaj   +3 more sources

Type II halogen···halogen contacts are halogen bonds [PDF]

IUCrJ, 2014
Cl/Br/I alternative substitutions in a series of dihalophenols indicate that type I and type II halogen···halogen contacts have different chemical nature. Only the latter ones qualify as true halogen bonds, according to the recent IUPAC definition.
Pierangelo Metrangolo, Giuseppe Resnati
doaj   +4 more sources

Application of Molecular Emissions in Laser-Induced Breakdown Spectroscopy: A Review

Frontiers in Physics, 2022
Laser-induced breakdown spectroscopy (LIBS) with advantages of rapid, in situ, and little sample pretreatment has been used in various fields. However, LIBS technology remains challenging in the detection of halogens, isotopes, and samples with similar ...
Fanghao Xu, Fanghao Xu, Shixiang Ma, Chunjiang Zhao, Daming Dong   +4 more
doaj   +1 more source

Spinel Harzburgite-Derived Silicate Melts Forming Sulfide-Bearing Orthopyroxenite in the Lithosphere. Part 1: Partition Coefficients and Volatile Evolution Accompanying Fluid- and Redox-Induced Sulfide Formation

Frontiers in Earth Science, 2022
We report abundances of major trace and volatile elements in an orthopyroxenite vein cutting a sub-arc, mantle-derived, spinel harzburgite xenolith from Kamchatka.
A. Bénard, C. Le Losq, O. Müntener, M. Robyr, O. Nebel, R. J. Arculus, D. A. Ionov   +6 more
doaj   +1 more source

Positive and Negative Contribution from Lead–Oxygen Groups and Halogen Atoms to Birefringence: A First Principles Investigation

Nanomaterials, 2023
Oxyhalides, containing oxygen and halogen atoms and combining the advantages of oxides and halides in geometry and optical response, have great potential in optical materials.
Can Deng, Jialong Wang, Mei Hu, Xiuhua Cui, Haiming Duan, Peng Li, Ming-Hsien Lee   +6 more
doaj   +1 more source

Materials and Energy Balance of E-Waste Smelting—An Industrial Case Study in China

Metals, 2021
The application of Nerin Recycling Technologies (NRT) in electronic waste (E-waste) smelting was introduced in this study, and the material and energy balance was calculated based on the practical data with the METSIM software (METSIM International, USA).
Fengchun Ye, Zhihong Liu, Longgong Xia
doaj   +1 more source

Advances in the Synthesis of Ring-Fused Benzimidazoles and Imidazobenzimidazoles

Molecules, 2021
This review article provides a perspective on the synthesis of alicyclic and heterocyclic ring-fused benzimidazoles, imidazo[4,5-f]benzimidazoles, and imidazo[5,4-f]benzimidazoles.
Martin Sweeney, Darren Conboy, Styliana I. Mirallai, Fawaz Aldabbagh   +3 more
doaj   +1 more source

A Reliable Method of Measuring the Conversion Degrees of Methacrylate Dental Resins

Sensors, 2022
The main aim of the study was to implement the most reliable method of measuring the degrees of conversion during photopolymerization of dental fillings.
Mirosław Kwaśny, Aneta Bombalska, Karolina Obroniecka   +2 more
doaj   +1 more source

Probing halogen–halogen interactions in solution [PDF]

Physical Chemistry Chemical Physics, 2017
Weak but measurable: a supramolecular balance detects interactions between CBr3groups in solution and estimates the corresponding free energy (0.2 kJ mol−1).
Ayzac, V., Raynal, Matthieu, Isare, B., Idé, J., Brocorens, P., Lazzaroni, R., Etienne, T., Monari, A., Assfeld, Xavier, Bouteiller, Laurent   +9 more
openaire   +3 more sources

Co-designing with relationships in mind

FORMakademisk, 2017
We need to move from object-oriented thinking towards relational thinking for many reasons. As public services become more complex, their design increasingly focuses on the relationships between people.
Manuela Aguirre-Ulloa, Adrian Paulsen
doaj   +1 more source