Spectroscopy and dynamics of double proton transfer in formic acid dimer
Published 2016 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Spectroscopy and dynamics of double proton transfer in formic acid dimer
Authors
Keywords
-
Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 35, Pages 24654-24662
Publisher
Royal Society of Chemistry (RSC)
Online
2016-08-11
DOI
10.1039/c6cp03462d
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- A Toolkit to Fit Nonbonded Parameters from and for Condensed Phase Simulations
- (2016) Florent Hédin et al. Journal of Chemical Information and Modeling
- Diffuse Vibrational Signature of a Single Proton Embedded in the Oxalate Scaffold, HO2CCO2–
- (2015) Conrad T. Wolke et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Gas Phase Detection of the NH–P Hydrogen Bond and Importance of Secondary Interactions
- (2015) Kristian H. Møller et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Infrared and Near-Infrared Spectroscopy of Acetylacetone and Hexafluoroacetylacetone
- (2015) Daryl L. Howard et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Soft hydrogen bonds to alkenes: the methanol–ethene prototype under experimental and theoretical scrutiny
- (2015) Matthias Heger et al. Chemical Science
- Communication: Towards the binding energy and vibrational red shift of the simplest organic hydrogen bond: Harmonic constraints for methanol dimer
- (2014) Matthias Heger et al. JOURNAL OF CHEMICAL PHYSICS
- Explicit proton transfer in classical molecular dynamics simulations
- (2014) Maarten G. Wolf et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Similar Strength of the NH···O and NH···S Hydrogen Bonds in Binary Complexes
- (2014) Cecilie L. Andersen et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Identification and Characterization of the HCl–DMS Gas Phase Molecular Complex via Infrared Spectroscopy and Electronic Structure Calculations
- (2014) Nicolai Bork et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Benchmarking Ab Initio Binding Energies of Hydrogen-Bonded Molecular Clusters Based on FTIR Spectroscopy
- (2014) Nicolai Bork et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Positively Charged Phosphorus as a Hydrogen Bond Acceptor
- (2014) Anne S. Hansen et al. Journal of Physical Chemistry Letters
- Resolving the anomalous infrared spectrum of the MeCN–HCl molecular cluster using ab Initio molecular dynamics
- (2014) Nicolai Bork et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The effect of fluorine substitution in alcohol–amine complexes
- (2014) Anne S. Hansen et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Fundamental and overtone vibrational spectroscopy, enthalpy of hydrogen bond formation and equilibrium constant determination of the methanol–dimethylamine complex
- (2013) Lin Du et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Communication: The highest frequency hydrogen bond vibration and an experimental value for the dissociation energy of formic acid dimer
- (2012) F. Kollipost et al. JOURNAL OF CHEMICAL PHYSICS
- Identification of the dimethylamine-trimethylamine complex in the gas phase
- (2012) Lin Du et al. JOURNAL OF CHEMICAL PHYSICS
- C–H⋯X (X=S, P) hydrogen bonding: The complexes of halothane with dimethyl sulfide and trimethylphosphine
- (2012) B. Michielsen et al. JOURNAL OF MOLECULAR STRUCTURE
- Hydrogen-Bond and Solvent Dynamics in Transition Metal Complexes: A Combined Simulation and NMR-Investigation
- (2012) Jing Huang et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Water-assisted Proton Transfer in Ferredoxin I
- (2011) Stephan Lutz et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Accelerating chemical reactions: Exploring reactive free-energy surfaces using acceleratedab initiomolecular dynamics
- (2011) Levi C. T. Pierce et al. JOURNAL OF CHEMICAL PHYSICS
- CHARMM Additive All-Atom Force Field for Carbohydrate Derivatives and Its Utility in Polysaccharide and Carbohydrate–Protein Modeling
- (2011) Olgun Guvench et al. Journal of Chemical Theory and Computation
- Theoretical Calculation of the OH Vibrational Overtone Spectra of 1-nAlkane Diols (n= 2–4): Origin of Disappearing Hydrogen-Bonded OH Peak
- (2011) Yu-Lung Cheng et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Fourier Transform Infrared Spectroscopy and Theoretical Study of Dimethylamine Dimer in the Gas Phase
- (2011) Lin Du et al. JOURNAL OF PHYSICAL CHEMISTRY A
- On the weakly C–H⋯π hydrogen bonded complexes of sevoflurane and benzene
- (2011) Johan J. J. Dom et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- A generalized reactive force field for nonlinear hydrogen bonds: Hydrogen dynamics and transfer in malonaldehyde
- (2010) Yonggang Yang et al. JOURNAL OF CHEMICAL PHYSICS
- Development of a ReaxFF Reactive Force Field for Glycine and Application to Solvent Effect and Tautomerization
- (2010) Obaidur Rahaman et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Quantum-chemical study and FTIR jet spectroscopy of CHCl3–NH3 association in the gas phase
- (2010) Michael Hippler et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The complexes of halothane with benzene: the temperature dependent direction of the complexation shift of the aliphatic C–H stretching
- (2010) Bart Michielsen et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Car–Parrinello molecular dynamics and density functional theory simulations of infrared spectra for acetic acid monomers and cyclic dimers
- (2009) Piotr Durlak et al. CHEMICAL PHYSICS LETTERS
- CHARMM: The biomolecular simulation program
- (2009) B. R. Brooks et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Fundamental and Overtone Vibrational Spectra of Gas-Phase Pyruvic Acid†
- (2009) Kathryn L. Plath et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Infrared spectra of (HCOOH)2 and (DCOOH)2 in rare gas matrices: A comparative study with gas phase spectra
- (2008) Fumiyuki Ito JOURNAL OF CHEMICAL PHYSICS
- High-resolution Fourier transform study of the ν3 fundamental band of trans-formic acid
- (2008) A. Perrin et al. JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
- Reactive force fields for proton transfer dynamics
- (2007) Sven Lammers et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- An Improved Multistate Empirical Valence Bond Model for Aqueous Proton Solvation and Transport†
- (2007) Yujie Wu et al. JOURNAL OF PHYSICAL CHEMISTRY B
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started