Constructing accurate interaction potentials to describe the microsolvation of protonated methane by helium atoms

Accelerated path integral methods for atomistic simulations at ultra-low temperatures

(2016) Felix Uhl et al.   JOURNAL OF CHEMICAL PHYSICS

Taming CH5+, the "enfant terrible" of chemical structures

(2015) T. Oka   SCIENCE

Solvation of molecules in superfluid helium enhances the “interaction induced localization” effect

(2014) Łukasz Walewski et al.   JOURNAL OF CHEMICAL PHYSICS

Adding flexibility to the “particles-on-a-sphere” model for large-amplitude motion: POSflex force field for protonated methane

(2014) Felix Uhl et al.   JOURNAL OF CHEMICAL PHYSICS

Basis Set Convergence of the Post-CCSD(T) Contribution to Noncovalent Interaction Energies

(2014) Daniel G. A. Smith et al.   Journal of Chemical Theory and Computation

Reactive path integral quantum simulations of molecules solvated in superfluid helium

(2013) Łukasz Walewski et al.   COMPUTER PHYSICS COMMUNICATIONS

Theoretical spectroscopy using molecular dynamics: theory and application to CH5+ and its isotopologues

(2013) Sergei D. Ivanov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Microsolvation–Induced Quantum Localization in Protonated Methane

(2013) Alexander Witt et al.   PHYSICAL REVIEW LETTERS

Rotational spectroscopic study of hydrogen cyanide embedded in small 4He clusters

(2012) Steve P. Dempster et al.   JOURNAL OF CHEMICAL PHYSICS

Constructing simple yet accurate potentials for describing the solvation of HCl/waterclusters in bulk helium and nanodroplets

(2011) A. Daniel Boese et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Rotational study of carbon monoxide isotopologues in small 4He clusters

(2010) P. L. Raston et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Effects of counterpoise correction and basis set extrapolation on the MP2 geometries of hydrogen bonded dimers of ammonia, water, and hydrogen fluoride

(2010) A. Daniel Boese et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Microsolvation of Protonated Methane: Structures and Energetics of CH5+(H2)n

(2008) Alexander Witt et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Rotational Study of Carbon Monoxide Solvated with Helium Atoms

(2008) L. A. Surin et al.   PHYSICAL REVIEW LETTERS