Gas phase vibrational spectroscopy of the protonated water pentamer: the role of isomers and nuclear quantum effects
出版年份 2016 全文链接
标题
Gas phase vibrational spectroscopy of the protonated water pentamer: the role of isomers and nuclear quantum effects
作者
关键词
-
出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 38, Pages 26743-26754
出版商
Royal Society of Chemistry (RSC)
发表日期
2016-08-23
DOI
10.1039/c6cp05217g
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Cryogenic Ion Trap Vibrational Spectroscopy of Hydrogen-Bonded Clusters Relevant to Atmospheric Chemistry (International Reviews in Physical Chemistry, 2015, Vol. 34, No. 1, 1–34)
- (2016) Nadja Heine et al. INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
- Quantum free energy landscapes from ab initio path integral metadynamics: Double proton transfer in the formic acid dimer is concerted but not correlated
- (2015) Sergei D. Ivanov et al. JOURNAL OF CHEMICAL PHYSICS
- Snapshots of Proton Accommodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H+(H2O)n=2–28 Clusters
- (2015) Joseph A. Fournier et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Disentangling the Contribution of Multiple Isomers to the Infrared Spectrum of the Protonated Water Heptamer
- (2015) Nadja Heine et al. Journal of Physical Chemistry Letters
- Ultrafast 2D IR spectroscopy of the excess proton in liquid water
- (2015) M. Thamer et al. SCIENCE
- Cryogenic ion trap vibrational spectroscopy of hydrogen-bonded clusters relevant to atmospheric chemistry
- (2014) Nadja Heine et al. INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
- Cryogenic Ion Chemistry and Spectroscopy
- (2013) Arron B. Wolk et al. ACCOUNTS OF CHEMICAL RESEARCH
- Both Zundel and Eigen Isomers Contribute to the IR Spectrum of the Gas-Phase H9O4+ Cluster
- (2013) Waldemar Kulig et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Isomer-Selective Detection of Hydrogen-Bond Vibrations in the Protonated Water Hexamer
- (2013) Nadja Heine et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Theoretical spectroscopy using molecular dynamics: theory and application to CH5+ and its isotopologues
- (2013) Sergei D. Ivanov et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Deciphering the infrared spectrum of the protonated water pentamer and the hybrid Eigen–Zundel cation
- (2013) Waldemar Kulig et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- A second-order perturbation theory route to vibrational averages and transition properties of molecules: General formulation and application to infrared and vibrational circular dichroism spectroscopies
- (2012) Julien Bloino et al. JOURNAL OF CHEMICAL PHYSICS
- Tuning of the Internal Energy and Isomer Distribution in Small Protonated Water Clusters H+(H2O)4–8: An Application of the Inert Gas Messenger Technique
- (2012) Kenta Mizuse et al. JOURNAL OF PHYSICAL CHEMISTRY A
- A first principles theoretical study of the hydration structure and dynamics of an excess proton in water clusters of varying size and temperature
- (2011) Arindam Bankura et al. CHEMICAL PHYSICS
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- Infrared Spectroscopy of Small Protonated Water Clusters, H+(H2O)n(n= 2−5): Isomers, Argon Tagging, and Deuteration
- (2010) G. E. Douberly et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Ab-Initio-Based Potential Energy Surfaces for Complex Molecules and Molecular Complexes
- (2010) J. M. Bowman et al. Journal of Physical Chemistry Letters
- Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water-dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero point energy, vibrationally excited states, and infrared spectrum
- (2009) Oriol Vendrell et al. JOURNAL OF CHEMICAL PHYSICS
- Messenger-Tagging Electrosprayed Ions: Vibrational Spectroscopy of Suberate Dianions
- (2009) Daniel J. Goebbert et al. JOURNAL OF PHYSICAL CHEMISTRY A
- IR Spectroscopy and Theory of Cu+(H2O)Ar2and Cu+(D2O)Ar2in the O−H (O−D) Stretching Region: Fundamentals and Combination Bands
- (2009) P. D. Carnegie et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Infrared Spectroscopy of the Microhydrated Nitrate Ions NO3−(H2O)1−6†
- (2009) Daniel J. Goebbert et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Isolating the spectra of cluster ion isomers using Ar-“tag” -mediated IR-IR double resonance within the vibrational manifolds: Application to NO[sub 2][sup −]⋅H[sub 2]O
- (2008) Ben M. Elliott et al. JOURNAL OF CHEMICAL PHYSICS
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started