Concepedia

Molecular dynamics simulation of lithium iodide in liquid dimethylsulfoxide

Usa Onthong, Tünde Megyes, Imre Bakó, Tamás Radnai, Kersti Hermansson, Michael Probst

Chemical Physics Letters · 2004 · 21 citations · 27 references

DOI

Concepts

References

27

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon

David E. Woon, Thom H. Dunning · The Journal of Chemical Physics · 1993 · 9.5K citations

, , +14

Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

Curt M. Breneman, Kenneth B. Wiberg · Journal of Computational Chemistry · 1990 · 4.8K citations

, , +17

A proper account of core-polarization with pseudopotentials: single valence-electron alkali compounds

Patricio Fuentealba, Hermann Stoll, László von Szentpály · Chemical Physics Letters · 1982 · 1K citations

, , +12

Structure and hydrogen bond dynamics of water–dimethyl sulfoxide mixtures by computer simulations

Alenka Luzar, David Chandler · The Journal of Chemical Physics · 1993 · 905 citations

, , +17