Results 11 to 20 of about 66,822 (374)

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
openaire   +3 more sources

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

IUCrJ, 2013
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.
METRANGOLO, PIERANGELO, RESNATI, GIUSEPPE   +1 more
openaire   +5 more sources

The Halogen Bond [PDF]

Chemical Reviews, 2016
The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of ...
Gabriella Cavallo, Giancarlo Terraneo, Roberto Milani, Arri Priimagi, Tullio Pilati, Giuseppe Resnati, Pierangelo Metrangolo, Pierangelo Metrangolo   +7 more
openaire   +4 more sources

Composition of minerals (apatite, magnenite, ilmenite and others) as an index of conditions of layered massive ore formation in the laminated gabbro of Kusa intrusion (the Southern Urals)

Литосфера, 2019
Research subject. In this research, we carried out a series of mineralogical, petrological and geochemical studies to investigate ore zones present in the Kusa ilmenite-magnetite deposit located within the boundaries of a similarly-named laminated gabbro
T. D. Bocharnikova, V. V. Kholodnov, Y. S. Shagalov   +2 more
doaj   +1 more source

Halogen-Based 17β-HSD1 Inhibitors: Insights from DFT, Docking, and Molecular Dynamics Simulation Studies

Molecules, 2022
The high expression of 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1) mRNA has been found in breast cancer tissues and endometriosis. The current research focuses on preparing a range of organic molecules as 17β-HSD1 inhibitors.
Arulsamy Kulandaisamy, Murugesan Panneerselvam, Rajadurai Vijay Solomon, Madhavan Jaccob, Jaganathan Ramakrishnan, Kumaradhas Poomani, Muralikannan Maruthamuthu, Nagendran Tharmalingam   +7 more
doaj   +1 more source

Possible Effects of Greenhouse Gases to Ozone Profiles and DNA Active UV-B Irradiance at Ground Level

Atmosphere, 2020
In this paper, we compare model calculations of ozone profiles and their variability for the period 1998 to 2016 with satellite and lidar profiles at five ground-based stations.
Kostas Eleftheratos, John Kapsomenakis, Christos S. Zerefos, Alkiviadis F. Bais, Ilias Fountoulakis, Martin Dameris, Patrick Jöckel, Amund S. Haslerud, Sophie Godin-Beekmann, Wolfgang Steinbrecht, Irina Petropavlovskikh, Colette Brogniez, Thierry Leblanc, J. Ben Liley, Richard Querel, Daan P. J. Swart   +15 more
doaj   +1 more source

New Halogen-Containing Drugs Approved by FDA in 2021: An Overview on Their Syntheses and Pharmaceutical Use

Molecules, 2022
This review describes the recent Food and Drug Administration (FDA)-approved drugs (in the year 2021) containing at least one halogen atom (covalently bound).
Davide Benedetto Tiz, Luana Bagnoli, Ornelio Rosati, Francesca Marini, Luca Sancineto, Claudio Santi   +5 more
doaj   +1 more source

Preparo de amostras de combustíveis fósseis por piroidrólise para a determinação de flúor e cloro Fluoride and chloride determination in fossil fuels after sample preparation by pyrohydrolysis

Química Nova, 2010
Pyrohydrolysis is proposed for fossil fuels sample preparation for further fluorine and chlorine determination. Samples were heated during 10 min at temperatures up to 1000 °C.
Fabiane G. Antes, Fábio A. Duarte, Éder L. M. Flores, José Neri G. Paniz, Érico M. M. Flores, Valderi L. Dressler   +5 more
doaj   +1 more source

Analysis of products from the pyrolysis of plastics recovered from the commercial scale recycling of waste electrical and electronic equipment [PDF]

, 2007
Three plastic fractions from a commercial waste electrical and electronic equipment (WEEE) processing plant were collected and investigated for the possibility of recycling them by batch pyrolysis. The first plastic was from equipment containing cathode
Hall, W.J., Williams, P.T.
core   +1 more source

Evidence for an Active, Transcrustal Magma System in the Last 60 ka and Eruptive Degassing Budget (H2O, CO2, S, F, Cl, Br): The Case of Dominica

Geochemistry, Geophysics, Geosystems, 2020
The Morne Trois Pitons‐Micotrin volcanic complex on the island of Dominica (Lesser Antilles) emitted a series of plinian eruptions between 18 and 9 ka BP.
T. d'Augustin, H. Balcone‐Boissard, G. Boudon, C. Martel, E. Deloule, P. Bürckel   +5 more
doaj   +1 more source