ZIB

Hits per page

hit 1 - 1 | 1 hit

Select All Export

Electronic Resource

Hirshfeld surfaces as approximations to interatomic surfaces (2002)

Pendás, A. Martín ; Luaña, V. ; Pueyo, L. ; [et al.]

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 117 (2002), S. 1017-1023

add to mindlist on the mindlist

Details

ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: A simple algebraic model is used to show that Hirshfeld surfaces in condensed phases may be understood as approximations to the interatomic surfaces of the theory of atoms in molecules. The conditions under which this similarity is valid are explored, and both kinds of surfaces are calculated in the LiF and CS2 crystals to illustrate the main results. The link between Hirshfeld and interatomic surfaces provides a physical ground to understand the usage of the former to visualize intermolecular interactions. © 2002 American Institute of Physics.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.1483851

Library	Location	Call Number	Volume/Issue/Year	Availability

Others were also interested in ...

Paper (German National Licenses)

Fulltext

hit 1 - 1 | 1 hit