Publication Date:
1986
Short description:
Theory of magnetic susceptibility in terms of atomic quantities / R., Zanasi; Lazzeretti, Paolo. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - STAMPA. - 85:(1986), pp. 5924-5931.
abstract:
A new theory rationalizing molecular magnetic susceptibility in terms of atomic contribution is presented. The proposed atomic susceptibilities are proved numerically to be near gauge independent. A first set of theoretical atomic magnetic susceptibilities for O, N, C, and H, obtained from calculations of magnetic properties of water, ammonia, and methane molecules which are among the best available so far, is given.
Iris type:
Articolo su rivista
Keywords:
MAGNETIC SUSCEPTIBILITY; WATER; AMMONIA; METHANE; MAGNETIC PROPERTIES; OXYGEN; NITROGEN; CARBON; HYDROGEN; MAGNETIC MOMENTS
List of contributors:
R., Zanasi; Lazzeretti, Paolo
Published in: