A1 Journal article (refereed)
Ab initio molecular dynamics study of overtone excitations in formic acid and its water complex (2018)


Järvinen, T., Lundell, J., & Dopieralski, P. (2018). Ab initio molecular dynamics study of overtone excitations in formic acid and its water complex. Theoretical Chemistry Accounts, 137 (7), 100. doi:10.1007/s00214-018-2280-6


JYU authors or editors


Publication details

All authors or editors: Järvinen, Teemu; Lundell, Jan; Dopieralski, Przemysław

Journal or series: Theoretical Chemistry Accounts

ISSN: 1432-881X

Publication year: 2018

Volume: 137

Issue number: 7

Article number: 100

Publisher: Springer

Publication country: Germany

Publication language: English

DOI: http://doi.org/10.1007/s00214-018-2280-6

Open Access: Publication channel is not openly available

Additional information: Published as part of the special collection of articles “First European Symposium on Chemical Bonding”.


Keywords: molecular dynamics; formic acid

Free keywords: overtone; proton exchange; vibration induced chemistry


Contributing organizations

Other organizations:


Ministry reporting: Yes

Reporting Year: 2018

JUFO rating: 1


Last updated on 2020-18-10 at 19:26