Concepedia

Effect of ring annelation on Li+–benzene interaction: A computational study

Ayorinde Hassan, T. C. Dinadayalane, Jerzy Leszczyński

Chemical Physics Letters · 2007 · 26 citations · 29 references

DOI

Concepts

References

29

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

, , +10

Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations

Krzysztof Woliński, James F. Hinton, Péter Pulay · Journal of the American Chemical Society · 1990 · 6.8K citations

, , +5

Encyclopedia of nuclear magnetic resonance

TrAC Trends in Analytical Chemistry · 2003 · 1.7K citations

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Cation [M = H<sup>+</sup>, Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, Ca<sup>2+</sup>, Mg<sup>2+</sup>, NH<sub>4</sub><sup>+</sup>, and NMe<sub>4</sub><sup>+</sup>] Interactions with the Aromatic Motifs of Naturally Occurring Amino Acids:  A Theoretical Study

A. Srinivas Reddy, G. Narahari Sastry · The Journal of Physical Chemistry A · 2005 · 287 citations

, , +17

Absolute Binding Energies of Alkali-Metal Cation Complexes with Benzene Determined by Threshold Collision-Induced Dissociation Experiments and ab Initio Theory

Jay C. Amicangelo, P. B. Armentrout · The Journal of Physical Chemistry A · 2000 · 240 citations

, , +17