Gas-phase infrared spectrum of the protonated water dimer: molecular dynamics simulation and accuracy of the potential energy surface.
Sauer
Joachim
J
Institut für Chemie, Humboldt-Universität, Unter den Linden 6, 10099 Berlin, Germany. sek.qc@chemie.hu-berlin.de
Döbler
Jens
J
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003198:Computer Simulation; D019281:Dimerization; D005740:Gases / Q000737:chemistry; D006860:Hydrogen Bonding; D008956:Models, Chemical; D011522:Protons; D013055:Spectrophotometry, Infrared / Q000379:methods*; D013499:Surface Properties; D013816:Thermodynamics; D014867:Water / Q000737:chemistry
D005740:Gases; D011522:Protons; D014867:Water