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Madsen, Marianne Sloth, Gross, Allan, Falsig, Hanne, Kongsted, Jacob, Osted, Anders, Mikkelsen, Kurt V., Christiansen, Ove (2008) Determination of rate constants for the uptake process involving SO2 and an aerosol particle. A quantum mechanics/molecular mechanics and quantum statistical investigation. Chemical Physics, 348. 21-30 doi:10.1016/j.chemphys.2008.02.008

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Reference TypeJournal (article/letter/editorial)
TitleDetermination of rate constants for the uptake process involving SO2 and an aerosol particle. A quantum mechanics/molecular mechanics and quantum statistical investigation
JournalChemical Physics
AuthorsMadsen, Marianne SlothAuthor
Gross, AllanAuthor
Falsig, HanneAuthor
Kongsted, JacobAuthor
Osted, AndersAuthor
Mikkelsen, Kurt V.Author
Christiansen, OveAuthor
Year2008 (June)Volume348
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2008.02.008Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID5961594Long-form Identifiermindat:1:5:5961594:7
GUID0
Full ReferenceMadsen, Marianne Sloth, Gross, Allan, Falsig, Hanne, Kongsted, Jacob, Osted, Anders, Mikkelsen, Kurt V., Christiansen, Ove (2008) Determination of rate constants for the uptake process involving SO2 and an aerosol particle. A quantum mechanics/molecular mechanics and quantum statistical investigation. Chemical Physics, 348. 21-30 doi:10.1016/j.chemphys.2008.02.008
Plain TextMadsen, Marianne Sloth, Gross, Allan, Falsig, Hanne, Kongsted, Jacob, Osted, Anders, Mikkelsen, Kurt V., Christiansen, Ove (2008) Determination of rate constants for the uptake process involving SO2 and an aerosol particle. A quantum mechanics/molecular mechanics and quantum statistical investigation. Chemical Physics, 348. 21-30 doi:10.1016/j.chemphys.2008.02.008
In(n.d.) Chemical Physics Vol. 348. Elsevier BV

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Falsig, Hanne, Gross, Allan, Kongsted, Jacob, Osted, Anders, Sloth, Marianne, Mikkelsen, Kurt V., Christiansen, Ove (2006) Uptake of Phenol on Aerosol Particles†. The Journal of Physical Chemistry A, 110 (2). 660-670 doi:10.1021/jp0536201
OSTED, ANDERS, KONGSTED, JACOB, MIKKELSEN, KURT, CHRISTIANSEN, OVE (2003) A CC2 dielectric continuum model and a CC2 molecular mechanics model. Molecular Physics, 101. 2055-2071 doi:10.1080/0026897031000109338
Kongsted, Jacob, Osted, Anders, Mikkelsen, Kurt V., Christiansen, Ove (2003) Linear response functions for coupled cluster/molecular mechanics including polarization interactions. The Journal of Chemical Physics, 118 (4). 1620-1633 doi:10.1063/1.1529680
Kongsted, Jacob, Osted, Anders, Mikkelsen, Kurt V., Christiansen, Ove (2002) Dipole and quadrupole moments of liquid water calculated within the coupled cluster/molecular mechanics method. Chemical Physics Letters, 364. 379-386 doi:10.1016/s0009-2614(02)01286-1
Kongsted, Jacob, Osted, Anders, Mikkelsen, Kurt V., Christiansen, Ove (2003) Coupled Cluster/Molecular Mechanics Method:  Implementation and Application to Liquid Water. The Journal of Physical Chemistry A, 107 (14). 2578-2588 doi:10.1021/jp022171r
Osted, Anders, Kongsted, Jacob, Mikkelsen, Kurt V., Christiansen, Ove (2006) The electronic spectrum of the micro-solvated alanine zwitterion calculated using the combined coupled cluster/molecular mechanics method. Chemical Physics Letters, 429. 430-435 doi:10.1016/j.cplett.2006.08.060
Kongsted, Jacob, Osted, Anders, Mikkelsen, Kurt V., Christiansen, Ove (2003) Nonlinear optical response properties of molecules in condensed phases using the coupled cluster/dielectric continuum or molecular mechanics methods. The Journal of Chemical Physics, 119 (20). 10519-10535 doi:10.1063/1.1619951
Kongsted, Jacob, Nielsen, Christian B., Mikkelsen, Kurt V., Christiansen, Ove, Ruud, Kenneth (2007) Nuclear magnetic shielding constants of liquid water: Insights from hybrid quantum mechanics/molecular mechanics models. The Journal of Chemical Physics, 126 (3). 34510pp. doi:10.1063/1.2424713
Osted, Anders, Kongsted, Jacob, Mikkelsen, Kurt V., Christiansen, Ove (2004) Linear Response Properties of Liquid Water Calculated Using CC2 and CCSD within Different Molecular Mechanics Methods†. The Journal of Physical Chemistry A, 108 (41). 8646-8658 doi:10.1021/jp048910g
Kongsted, Jacob, Osted, Anders, Mikkelsen, Kurt V., Christiansen, Ove (2003) Molecular electric properties of liquid water calculated using the combined coupled cluster/molecular mechanics method. Journal of Molecular Structure: THEOCHEM, 632. 207-225 doi:10.1016/s0166-1280(03)00300-2
Osted, Anders, Kongsted, Jacob, Mikkelsen, Kurt V., Ă…strand, Per-Olof, Christiansen, Ove (2006) Statistical mechanically averaged molecular properties of liquid water calculated using the combined coupled cluster/molecular dynamics method. The Journal of Chemical Physics, 124 (12). 124503pp. doi:10.1063/1.2176615
 
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