Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories
about
Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical proceduresFirst-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids.Impact of Hydrogen Bonding on the Susceptibility of Peptides to Oxidation.W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methods.The INV24 test set: how well do quantum-chemical methods describe inversion and racemization barriers?Surprising performance for vibrational frequencies of the distinguishable clusters with singles and doubles (DCSD) and MP2.5 approximations
P2860
Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories
description
article
@en
im April 2014 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована у квітні 2014
@uk
name
Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories
@en
Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories
@nl
type
label
Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories
@en
Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories
@nl
prefLabel
Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories
@en
Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories
@nl
P2860
P1476
Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories
@en
P2093
Jan M. L. Martin
Li-Juan Yu
P2860
P2888
P356
10.1007/S00214-014-1483-8
P577
2014-04-16T00:00:00Z