Brina Brauer

Frequency and Zero-Point Vibrational Energy Scale Factors for Double-Hybrid Density Functionals (and Other Selected Methods): Can Anharmonic Force Fields Be Avoided?

Manoj K. Kesharwani, Brina Brauer, Jan M. L. Martin · The Journal of Physical Chemistry A · 2014 · 627 citations

Engineering, Computational Chemistry, Chemistry +16

The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theory

Brina Brauer, Manoj K. Kesharwani, Sebastian Kozuch et al. · Physical Chemistry Chemical Physics · 2016 · 238 citations · Full text

Some Observations on Counterpoise Corrections for Explicitly Correlated Calculations on Noncovalent Interactions

Brina Brauer, Manoj K. Kesharwani, Jan M. L. Martin · Journal of Chemical Theory and Computation · 2014 · 130 citations

Engineering, Physics, Superposition Error +15

Vibrational Spectroscopy of the G· · ·C Base Pair:  Experiment, Harmonic and Anharmonic Calculations, and the Nature of the Anharmonic Couplings

Brina Brauer, R. Benny Gerber, Martin Kabeláč et al. · The Journal of Physical Chemistry A · 2005 · 99 citations

Engineering, Harmonic Frequencies, Computational Chemistry +16

Spectroscopically-tested, improved, semi-empirical potentials for biological molecules: Calculations for glycine, alanine and prolineElectronic supplementary information (ESI) available: Geometries (MP2 and PM3) of alanine, glycine and proline conformers I and II. See http://www.rsc.org/suppdata/cp/b3/b315326f/

Brina Brauer, Galina M. Chaban, R. Benny Gerber · Physical Chemistry Chemical Physics · 2004 · 85 citations

Engineering, Computational Chemistry, Chemistry +16