Deprotonation of formic acid in collisions with a liquid water surface studied by molecular dynamics and metadynamics simulations

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

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
JournalPhysical Chemistry Chemical Physics
Volume18
Issue number43
Pages (from-to)29756-29770
Number of pages15
ISSN1463-9076
DOIs
Publication statusPublished - 21 Nov 2016
MoE publication typeA1 Journal article-refereed

Fields of Science

  • PROTON-TRANSFER REACTIONS
  • RAY PHOTOELECTRON-SPECTROSCOPY
  • SUM-FREQUENCY SPECTROSCOPY
  • NITRIC-ACID
  • CANONICAL ENSEMBLE
  • AQUEOUS-SOLUTIONS
  • CARBOXYLIC-ACIDS
  • VAPOR INTERFACE
  • ACETIC-ACIDS
  • FORMATE ION
  • 116 Chemical sciences
  • 114 Physical sciences

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