FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2937118525> ?p ?o ?g. }

• W2937118525 endingPage "3886" @default.
• W2937118525 startingPage "3876" @default.
• W2937118525 abstract "The possible involvement of chemical components in atmospheric new particle formation has received increased attention in recent years. However, the deep understanding of the clusters formed between atmospheric gas-phase organic acids is incomplete. In this work, the chemical and physical properties of the cluster formed between three organic acids [glyoxylic acid (GA), oxalic acid (OA), and pyruvic acid (PA)] with common atmospheric nucleation precursors [methyl hydrogen sulfate (MHS), methanesulfonic acid (MSA), and hydroxymethanesulfonic acid (HMSA)] have been investigated with density functional theory and ab initio coupled-cluster singles and doubles with perturbative triples (CCSD(T)) theory. Six- to nine-membered cyclic ring structures are mainly arranged via two classes of intermolecular hydrogen bonds: SO–H···O and CO–H···O. The GA/OA/PA–MHS/MSA/HMSA complexes with the nine- and eight-membered cyclic ring structures are thermodynamically more stable than the others. Large red shifts of the OH-stretching vibrational frequencies of both SO–H···O (354–794 cm–1) and CO–H···O (320–481 cm–1) are obtained with regard to the isolated gas monomers. Atoms in molecules topological analysis reveals that the Laplacian of the charge density of the bimolecular interactions in the GA/OA/PA–MHS/MSA/HMSA complexes is higher than the upper value of the hydrogen bond criteria. The thermodynamic data, dipole moments, and atmospheric mixing ratios indicate that the MHS- and MSA-containing complexes possibly take part in atmospheric new particle formation. Additionally, the environmental factors, such as temperature and pressure, are also important in atmospheric particle nucleation, and the gas-mixing ratios of the clusters at 12 km are much enhanced by 18–44 times with respect to the ones at the ground level. This study suggests that small cluster calculations may be helpful in simulating atmospheric new particle formation." @default.
• W2937118525 created "2019-04-25" @default.
• W2937118525 creator A5005921727 @default.
• W2937118525 creator A5044229919 @default.
• W2937118525 creator A5047974646 @default.
• W2937118525 creator A5052071305 @default.
• W2937118525 creator A5062660736 @default.
• W2937118525 creator A5086906337 @default.
• W2937118525 date "2019-04-11" @default.
• W2937118525 modified "2023-10-16" @default.
• W2937118525 title "Atmospheric Initial Nucleation Containing Carboxylic Acids" @default.
• W2937118525 cites W1450195080 @default.
• W2937118525 cites W1969169061 @default.
• W2937118525 cites W1972166627 @default.
• W2937118525 cites W1975221107 @default.
• W2937118525 cites W1984135435 @default.
• W2937118525 cites W1985036498 @default.
• W2937118525 cites W1985487219 @default.
• W2937118525 cites W1991127835 @default.
• W2937118525 cites W1994796280 @default.
• W2937118525 cites W1995109133 @default.
• W2937118525 cites W1998121397 @default.
• W2937118525 cites W1999766679 @default.
• W2937118525 cites W2010816437 @default.
• W2937118525 cites W2011161552 @default.
• W2937118525 cites W2011254556 @default.
• W2937118525 cites W2012933623 @default.
• W2937118525 cites W2015459022 @default.
• W2937118525 cites W2022366997 @default.
• W2937118525 cites W2042124060 @default.
• W2937118525 cites W2047040241 @default.
• W2937118525 cites W2051469879 @default.
• W2937118525 cites W2052390068 @default.
• W2937118525 cites W2052423187 @default.
• W2937118525 cites W2054502311 @default.
• W2937118525 cites W2057243911 @default.
• W2937118525 cites W2057732061 @default.
• W2937118525 cites W2064305840 @default.
• W2937118525 cites W2068831582 @default.
• W2937118525 cites W2074105663 @default.
• W2937118525 cites W2076926116 @default.
• W2937118525 cites W2077883837 @default.
• W2937118525 cites W2087367872 @default.
• W2937118525 cites W2091700437 @default.
• W2937118525 cites W2092019027 @default.
• W2937118525 cites W2093285190 @default.
• W2937118525 cites W2108883829 @default.
• W2937118525 cites W2110935658 @default.
• W2937118525 cites W2126055228 @default.
• W2937118525 cites W2132869159 @default.
• W2937118525 cites W2133347880 @default.
• W2937118525 cites W2148941593 @default.
• W2937118525 cites W2151425725 @default.
• W2937118525 cites W2153255669 @default.
• W2937118525 cites W2158213931 @default.
• W2937118525 cites W2218203340 @default.
• W2937118525 cites W2234998704 @default.
• W2937118525 cites W2263298170 @default.
• W2937118525 cites W2267638808 @default.
• W2937118525 cites W2314826532 @default.
• W2937118525 cites W2316846297 @default.
• W2937118525 cites W2332725914 @default.
• W2937118525 cites W2333668833 @default.
• W2937118525 cites W2401634211 @default.
• W2937118525 cites W2500942235 @default.
• W2937118525 cites W2516123109 @default.
• W2937118525 cites W2529928979 @default.
• W2937118525 cites W2549384894 @default.
• W2937118525 cites W2550999303 @default.
• W2937118525 cites W2557732804 @default.
• W2937118525 cites W2576304022 @default.
• W2937118525 cites W2587699338 @default.
• W2937118525 cites W2597669243 @default.
• W2937118525 cites W2606677187 @default.
• W2937118525 cites W2622130747 @default.
• W2937118525 cites W2744218280 @default.
• W2937118525 cites W2745228310 @default.
• W2937118525 cites W2753529925 @default.
• W2937118525 cites W2765239135 @default.
• W2937118525 cites W2765561369 @default.
• W2937118525 cites W2774008682 @default.
• W2937118525 cites W2816481655 @default.
• W2937118525 cites W2844762458 @default.
• W2937118525 cites W2889663308 @default.
• W2937118525 cites W2896262451 @default.
• W2937118525 cites W360561479 @default.
• W2937118525 doi "https://doi.org/10.1021/acs.jpca.9b01104" @default.
• W2937118525 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30974943" @default.
• W2937118525 hasPublicationYear "2019" @default.
• W2937118525 type Work @default.
• W2937118525 sameAs 2937118525 @default.
• W2937118525 citedByCount "8" @default.
• W2937118525 countsByYear W29371185252020 @default.
• W2937118525 countsByYear W29371185252021 @default.
• W2937118525 countsByYear W29371185252022 @default.
• W2937118525 countsByYear W29371185252023 @default.
• W2937118525 crossrefType "journal-article" @default.
• W2937118525 hasAuthorship W2937118525A5005921727 @default.

• next