Molecular dynamics simulation of the adsorption of oxalic acid on an ice surface.

scientific article published on December 2010

Molecular dynamics simulation of the adsorption of oxalic acid on an ice surface. is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1002/CPHC.201000513
P698PubMed publication ID20830727

P50authorMária DarvasQ83244993
P2093author name stringSylvain Picaud
Pal Jedlovszky
P2860cites workA five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functionsQ29031294
A general purpose model for the condensed phases of water: TIP4P/2005Q29393760
Self-association of urea in aqueous solutions: a Voronoi polyhedron analysis studyQ33388388
Adsorption of phenanthrene on natural snowQ39100532
Interactions of oxalic acid and ice on Cu surfaceQ39103372
Adsorption of benzaldehyde at the surface of ice, studied by experimental method and computer simulation.Q43121113
Measurement of atmospheric hydroxyacetone, glycolaldehyde, and formaldehyde.Q45993047
Investigation of the adsorption behaviour of acetone at the surface of ice. A grand canonical Monte Carlo simulation studyQ46275129
Quantum studies of hydrogen bonding in formic acid and water ice surfaceQ46593966
Interaction of formic and acetic acid with ice surfaces between 187 and 227 K. Investigation of single species- and competitive adsorptionQ46642781
Adsorption of acetic acid on ice: experiments and molecular dynamics simulationsQ46702266
The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambinQ47682341
Formation of hydrogen peroxide and depletion of oxalic acid in atmospheric water by photolysis of iron(III)-oxalato complexesQ56506179
Stratospheric ozone depletion: A review of concepts and historyQ56656874
Antarctic stratospheric chemistry of chlorine nitrate, hydrogen chloride, and ice: release of active chlorineQ56955484
GROMACS 3.0: a package for molecular simulation and trajectory analysisQ57082068
Snow physics as relevant to snow photochemistryQ57250931
Molecular dynamics with coupling to an external bathQ57569060
The Interaction of Methanol, Acetone, and Acetaldehyde with Ice and Nitric Acid-Doped Ice: Implications for Cirrus CloudsQ58075286
Oxalic acid as a heterogeneous ice nucleus in the upper troposphere and its indirect aerosol effectQ58248793
The Uptake of Acidic Gases on IceQ58248805
The partitioning of acetone to different types of ice and snow between 198 and 223 KQ58613323
On the depletion of Antarctic ozoneQ59055758
Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water modelsQ59567732
Interactions of atmospheric trace gases with ice surfaces: adsorption and reactionQ79355976
Acetone adsorption on ice surfaces in the temperature range T = 190-220 K: evidence for aging effects due to crystallographic changes of the adsorption sitesQ79806528
Interaction of formic acid with solid waterQ80355507
Interaction of acetic acid with solid waterQ83204431
A smooth particle mesh Ewald methodQ107213707
P433issue18
P407language of work or nameEnglishQ1860
P304page(s)3971-3979
P577publication date2010-12-01
P1433published inChemPhysChemQ2012739
P1476titleMolecular dynamics simulation of the adsorption of oxalic acid on an ice surface
P478volume11