Vibrational tuning of the Hydrogen transfer in malonaldehyde – a combined FTIR and Raman jet study†

Tunneling and Tunneling Switching Dynamics in Phenol and Its Isotopomers from High-Resolution FTIR Spectroscopy with Synchrotron Radiation

(2012) Sieghard Albert et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nuclear Spin Conversion to Probe the Methyl Rotation Effect on Hydrogen-Bond and Vibrational Dynamics

(2012) Rolando R. Lozada-Garcia et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

The rainbow instanton method: A new approach to tunneling splitting in polyatomics

(2012) Zorka Smedarchina et al.   JOURNAL OF CHEMICAL PHYSICS

Iterative diagonalization in the state-averaged multi-configurational time-dependent Hartree approach: Excited state tunneling splittings in malonaldehyde

(2012) Thorsten Hammer et al.   JOURNAL OF CHEMICAL PHYSICS

Isomerization around C–C and C–O bonds in 1-propanol: Collisional relaxation in supersonic jets and selective IR photo-isomerization in cryogenic matrices

(2012) Tobias N. Wassermann et al.   JOURNAL OF MOLECULAR STRUCTURE

First Observation of Ultrafast Intramolecular Proton Transfer Rate between Electronic Ground States in Solution

(2012) Yuichi Masuda et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Vibrational Conical Intersections as a Mechanism of Ultrafast Vibrational Relaxation

(2012) Peter Hamm et al.   PHYSICAL REVIEW LETTERS

OH stretching frequencies in systems with intramolecular hydrogen bonds: Harmonic and anharmonic analyses

(2011) Jens Spanget-Larsen et al.   CHEMICAL PHYSICS

Intramolecular proton transfer in malonaldehyde: Accurate multilayer multi-configurational time-dependent Hartree calculations

(2011) Thorsten Hammer et al.   JOURNAL OF CHEMICAL PHYSICS

New insights into the photodynamics of acetylacetone: isomerization and fragmentation in low-temperature matrixes

(2010) A. Trivella et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Vibrational specificity of proton-transfer dynamics in ground-state tropolone

(2010) Daniel Murdock et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Periodic bond breaking and making in the electronic ground state on a sub-picosecond timescale: OH bending spectroscopy of malonaldehyde in the frequency domain at low temperature

(2010) Nils O. B. Lüttschwager et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Multiconfigurational time-dependent Hartree calculations for tunneling splittings of vibrational states: Theoretical considerations and application to malonaldehyde

(2009) Thorsten Hammer et al.   JOURNAL OF CHEMICAL PHYSICS

Probing the stiffness of the simplest double hydrogen bond: The symmetric hydrogen bond modes of jet-cooled formic acid dimer

(2009) Z. Xue et al.   JOURNAL OF CHEMICAL PHYSICS

Combining the nuclear-electronic orbital approach with vibronic coupling theory: Calculation of the tunneling splitting for malonaldehyde

(2009) Anirban Hazra et al.   JOURNAL OF CHEMICAL PHYSICS

Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface

(2008) Yimin Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Malonaldehyde Synthesis

(2008) Aurélien Trivella et al.   SYNTHETIC COMMUNICATIONS