Ab initio molecular dynamics studies of formic acid dimer colliding with liquid water

Vesa Hänninen, Garold Murdachaew, Gilbert M. Nathanson, R. Benny Gerber, Lauri Halonen

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
JournalPhysical Chemistry Chemical Physics
Volume20
Issue number36
Pages (from-to)23717-23725
Number of pages9
ISSN1463-9076
DOIs
Publication statusPublished - 28 Sep 2018
MoE publication typeA1 Journal article-refereed

Fields of Science

  • DOUBLE-PROTON-TRANSFER
  • MONTE-CARLO-SIMULATION
  • CARBOXYLIC-ACIDS
  • CONDENSED PHASES
  • ACETIC-ACID
  • SOLVENT
  • SPECTROSCOPY
  • DIMERIZATION
  • MECHANISM
  • SURFACES
  • 116 Chemical sciences
  • 114 Physical sciences

Cite this

Hänninen, Vesa ; Murdachaew, Garold ; Nathanson, Gilbert M. ; Gerber, R. Benny ; Halonen, Lauri. / Ab initio molecular dynamics studies of formic acid dimer colliding with liquid water. In: Physical Chemistry Chemical Physics. 2018 ; Vol. 20, No. 36. pp. 23717-23725.
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author = "Vesa H{\"a}nninen and Garold Murdachaew and Nathanson, {Gilbert M.} and Gerber, {R. Benny} and Lauri Halonen",
year = "2018",
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Ab initio molecular dynamics studies of formic acid dimer colliding with liquid water. / Hänninen, Vesa; Murdachaew, Garold; Nathanson, Gilbert M.; Gerber, R. Benny; Halonen, Lauri.

In: Physical Chemistry Chemical Physics, Vol. 20, No. 36, 28.09.2018, p. 23717-23725.

Research output: Contribution to journalArticleScientificpeer-review

TY - JOUR

T1 - Ab initio molecular dynamics studies of formic acid dimer colliding with liquid water

AU - Hänninen, Vesa

AU - Murdachaew, Garold

AU - Nathanson, Gilbert M.

AU - Gerber, R. Benny

AU - Halonen, Lauri

PY - 2018/9/28

Y1 - 2018/9/28

KW - DOUBLE-PROTON-TRANSFER

KW - MONTE-CARLO-SIMULATION

KW - CARBOXYLIC-ACIDS

KW - CONDENSED PHASES

KW - ACETIC-ACID

KW - SOLVENT

KW - SPECTROSCOPY

KW - DIMERIZATION

KW - MECHANISM

KW - SURFACES

KW - 116 Chemical sciences

KW - 114 Physical sciences

U2 - 10.1039/c8cp03857k

DO - 10.1039/c8cp03857k

M3 - Article

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SP - 23717

EP - 23725

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 36

ER -