The effect of large amplitude motions on the vibrational intensities in hydrogen bonded complexes

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

(2014) Kasper Mackeprang et al.   JOURNAL OF CHEMICAL PHYSICS

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

The effect of fluorine substitution in alcohol–amine complexes

(2014) Anne S. Hansen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular understanding of sulphuric acid–amine particle nucleation in the atmosphere

(2013) João Almeida et al.   NATURE

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

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

Quantifying cooperative intermolecular interactions for improved carbon dioxide capture materials

(2011) Katrina M. de Lange et al.   JOURNAL OF CHEMICAL PHYSICS

Explicit correlation and basis set superposition error: The structure and energy of carbon dioxide dimer

(2011) Jordan D. McMahon et al.   JOURNAL OF CHEMICAL PHYSICS

Computational High-Frequency Overtone Spectra of the Water–Ammonia Complex

(2011) Elina Sälli et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Absolute Intensities of NH-Stretching Transitions in Dimethylamine and Pyrrole

(2011) Benjamin J. Miller 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

Intramolecular OH⋯π interactions in alkenols and alkynols

(2011) Benjamin J. Miller et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Definition of the hydrogen bond (IUPAC Recommendations 2011)

(2011) Elangannan Arunan et al.   PURE AND APPLIED CHEMISTRY

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

Explicitly correlated coupled cluster methods with pair-specific geminals

(2010) Hans-Joachim Werner et al.   MOLECULAR 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

Simplified CCSD(T)-F12 methods: Theory and benchmarks

(2009) Gerald Knizia et al.   JOURNAL OF CHEMICAL PHYSICS

Imaging the State-Specific Vibrational Predissociation of the Ammonia−Water Hydrogen-Bonded Dimer

(2009) Andrew K. Mollner et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

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