Structural and spectroscopic studies on 2-pyranones

Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives

Péter Pulay, Géza Fogarasi, Frank Pang et al. · Journal of the American Chemical Society · 1979 · 2.1K citations

Natural Sciences, Chemistry, Physics +11

Ab initio vibrational Raman and Raman optical activity spectra

Prasad L. Polavarapu · The Journal of Physical Chemistry · 1990 · 893 citations

Natural Sciences, Chemistry, Molecular Physics +12

Infrared absorption spectroscopy

M. G. Mellon · Microchemical Journal · 1963 · 690 citations

Natural Sciences, Chemistry, Analytical Chemistry +9

The Infra-red Spectra of Complex Molecules

Wilson L Brannon · Journal of AOAC INTERNATIONAL · 1977 · 381 citations

Natural Sciences, Chemistry, Organic Chemistry +12

A New Approach to Vibrational Analysis of Large Molecules by Density Functional Theory:  Wavenumber-Linear Scaling Method

Hiroshi Yoshida, Kumi Takeda, Junko Okamura et al. · The Journal of Physical Chemistry A · 2002 · 307 citations

Natural Sciences, Chemistry, Physics +17