Concepedia
Vibrational Spectroscopy · 2018 · 22 citations · 26 references
Ft-raman StudyHydrogen BondChemistry
26
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text
Numerical Analysis, Engineering, Machine Learning +19
Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First-Row Atoms
Thom H. Dunning · The Journal of Chemical Physics · 1971 · 2.2K citations
Primitive Basis Sets, Nitrogen Molecules, Engineering +19
Natural bond orbital methods
Eric D. Glendening, Clark R. Landis, Frank Weinhold · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 1.6K citations
Electron Density, Nbo Analyses, Engineering +14
PRIRODA-04: a quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing
Dimitri N. Laikov, Yu. A. Ustynyuk · Russian Chemical Bulletin · 2005 · 979 citations
Engineering, Quantum Computing, Natural Sciences +14
Calixarenes. 4. The synthesis, characterization, and properties of the calixarenes from p-tert-butylphenol
C. David Gutsche, Balram Dhawan, Kwang Hyun No et al. · Journal of the American Chemical Society · 1981 · 686 citations
Chemical Analysis, Donut Icon, Altmetric Attention Score +9