Tom Sundius

Scaling of ab initio force fields by MOLVIB

Tom Sundius · Vibrational Spectroscopy · 2002 · 835 citations

Natural Sciences, Ab-initio Method, Physics +1

Molvib - A flexible program for force field calculations

Tom Sundius · Journal of Molecular Structure · 1990 · 721 citations

Numerical Analysis, Numerical Computation, Engineering +7

Crystal structure, Hirshfeld surfaces and DFT computation of NLO active (2E)-2-(ethoxycarbonyl)-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino] prop-2-enoic acid

Perumal Venkatesan, Subbiah Thamotharan, Andivelu Ilangovan et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 305 citations · Full text

Hirshfeld Surfaces, Crystal Structure, Dft Computation +10

Simulation of IR and Raman spectra based on scaled DFT force fields: a case study of 2-(methylthio)benzonitrile, with emphasis on band assignment

V. Krishnakumar, G. Keresztury, Tom Sundius et al. · Journal of Molecular Structure · 2004 · 215 citations

Band Assignment, Engineering, Physics +12

A Density Functional, Infrared Linear Dichroism, and Normal Coordinate Study of Phenol and its Deuterated Derivatives:  Revised Interpretation of the Vibrational Spectra

G. Keresztury, Ferenc Billes, Miklós Kubinyi et al. · The Journal of Physical Chemistry A · 1998 · 102 citations

Engineering, Organic Chemistry, Computational Chemistry +19