Rudolf Burcl

Vibrational spectra of furan, pyrrole, and thiophene from a density functional theory anharmonic force field

Rudolf Burcl, Nicholas C. Handy, Stuart Carter · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2003 · 85 citations

Molecular Spectroscopy, Vibrational Spectra, Physics +7

On the role of bond functions in interaction energy calculations: Ar⋅⋅⋅HCl, Ar⋅⋅⋅H2O, (HF)2

Rudolf Burcl, Grzegorz Chałasiński, Robert Bukowski et al. · The Journal of Chemical Physics · 1995 · 83 citations

Interaction Energy Calculations, Bond Functions, Natural Sciences +8

Study of excited states of furan and pyrrole by time-dependent density functional theory

Rudolf Burcl, Roger D. Amos, Nicholas C. Handy · Chemical Physics Letters · 2002 · 76 citations

Excited State Property, Localized Excited State, Engineering +11

<i>Ab initio</i> study of the phenol-water cation radical

Pavel Hobza, Rudolf Burcl, V. S̆pirko et al. · The Journal of Chemical Physics · 1994 · 70 citations

Phenol-water Cation Radical, Engineering, Phenol Cation +14

On the representation of potential energy surfaces of polyatomic molecules in normal coordinates: II. Parameterisation of the force field

Rudolf Burcl, Stuart Carter, Nicholas C. Handy · Chemical Physics Letters · 2003 · 58 citations

Engineering, Force Field, Physics +10