The effect of large amplitude motions on the transition frequency redshift in hydrogen bonded complexes: A physical picture

A rotamer energy level study of sulfuric acid

(2013) Lauri Partanen et al.   JOURNAL OF CHEMICAL PHYSICS

Constrained molecular vibration-rotation Hamiltonians: Contravariant metric tensor

(2013) Janne Pesonen   JOURNAL OF CHEMICAL PHYSICS

Development of a “First Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient

(2013) Volodymyr Babin et al.   Journal of Chemical Theory and Computation

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

Local vibrational modes of the water dimer – Comparison of theory and experiment

(2012) R. Kalescky et al.   CHEMICAL PHYSICS LETTERS

Coupled-monomers in molecular assemblies: Theory and application to the water tetramer, pentamer, and ring hexamer

(2012) Yimin Wang 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

Spectra of water dimer from a new ab initio potential with flexible monomers

(2012) Claude Leforestier et al.   JOURNAL OF CHEMICAL PHYSICS

Infrared shifts of the water dimer from the fully flexible ab initio HBB2 potential

(2012) C. Leforestier   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

The vibrational spectrum of the water dimer: Comparison between anharmonic ab initio calculations and neon matrix infrared data between 14,000 and 90cm−1

(2011) Y. Bouteiller et al.   CHEMICAL PHYSICS

Widening of the hydrogen bonded OH-streching bands due to the wagging and OO-stretching modes in H2O·H2O

(2011) Anna L. Garden et al.   CHEMICAL PHYSICS LETTERS

Perspective: Water cluster mediated atmospheric chemistry

(2011) Veronica Vaida   JOURNAL OF CHEMICAL PHYSICS

Fourier Transform Infrared Spectroscopy and Theoretical Study of Dimethylamine Dimer in the Gas Phase

(2011) Lin Du et al.   JOURNAL OF PHYSICAL CHEMISTRY A

XH-stretching overtone transitions calculated using explicitly correlated coupled cluster methods

(2010) Joseph R. Lane et al.   JOURNAL OF CHEMICAL PHYSICS

Spectrum and infrared intensities of OH-stretching bands of water dimers

(2010) Kirill Kuyanov-Prozument et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate ab initio and “hybrid” potential energy surfaces, intramolecular vibrational energies, and classical ir spectrum of the water dimer

(2009) Alex Shank et al.   JOURNAL OF CHEMICAL PHYSICS

Acceptor Tunneling Motion and O−H Stretching Vibration Overtones of the Water Dimer

(2009) Vesa Hänninen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Intramolecular vibrational frequencies of water clusters (H2O)n (n=2–5): Anharmonic analyses using potential functions based on the scaled hypersphere search method

(2008) Yu Watanabe et al.   JOURNAL OF CHEMICAL PHYSICS

Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B–Ne, and Al–Ar

(2008) Kirk A. Peterson et al.   JOURNAL OF CHEMICAL PHYSICS

MULTIMODE quantum calculations of intramolecular vibrational energies of the water dimer and trimer using ab initio-based potential energy surfaces

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

Calculation of the O−H Stretching Vibrational Overtone Spectrum of the Water Dimer

(2008) Teemu Salmi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Calculated Band Profiles of the OH-Stretching Transitions in Water Dimer

(2008) Anna L. Garden et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Far-Infrared Band Strengths in the Water Dimer:  Experiments and Calculations

(2008) Justinas Ceponkus et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Calculation of Vibrational Transition Frequencies and Intensities in Water Dimer:  Comparison of Different Vibrational Approaches

(2008) Henrik G. Kjaergaard et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Spectroscopy of Photoreactive Systems: Implications for Atmospheric Chemistry†

(2008) Veronica Vaida   JOURNAL OF PHYSICAL CHEMISTRY A