Concepedia

Blue shifted F3CH⋯FCD3 and Cl3CH⋯FCD3 weakly H-bound complexes. Cryospectroscopic and ab initio study

K.S. Rutkowski, Paweł Rodziewicz, Wouter Herrebout, Benjamin J. van der Veken, A. Koll

Chemical Physics · 2005 · 59 citations · 32 references

DOI

Concepts

References

32

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

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General atomic and molecular electronic structure system

Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations

, , +17

How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?

Sı́lvia Simon, Miquel Duran, J. J. Dannenberg · The Journal of Chemical Physics · 1996 · 2.2K citations · Full text

, , +11

A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximation

Kazuo Kitaura, Keiji Morokuma · International Journal of Quantum Chemistry · 1976 · 2.1K citations

, , +12

Fundamental Properties of the CH···O Interaction:  Is It a True Hydrogen Bond?

Yanliang Gu, Tapas Kar, Steve Scheiner · Journal of the American Chemical Society · 1999 · 1K citations

, , +16