Download e-book for kindle: Advances in Photochemistry by Noyes W

By Noyes W

ISBN-10: 1241271291

ISBN-13: 9781241271299

ISBN-10: 1861891911

ISBN-13: 9781861891914

Show description

By Noyes W

ISBN-10: 1241271291

ISBN-13: 9781241271299

ISBN-10: 1861891911

ISBN-13: 9781861891914

Show description

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Extra resources for Advances in Photochemistry

Example text

The quest for (3,–1) bond critical points in a complex or crystal is nowadays carried out not only using computed electron densities, but also using experimental ones [21]. 4 View along the a axis of one of the planes of the NANQUO02 crystal, the crystal of the 3,4-bis(dimethylamino)-3cyclobutene-1,2-dione. 5 Š range of distances). We have marked with a * those contacts that are not bonds, as they do not present (3,–1) bond critical points. all the cases where such comparison has been done [21].

1991, 2, 219. 11 van Gunsteren, W. , Berendsen, H. J. , Computer simulation of molecular dynamics: methodology, applications, and perspectives in chemistry, Angew. Chem. Int. Ed. Engl. 1990, 29, 992. , Calculation of intermolecular interaction energies by direct numerical integration over electron densities. I. Electrostatic and polarization energies in molecular crystals, J. Phys. Chem. 2002, 106, 4145. , Calculation of intermolecular interaction energies by direct numerical integration over electron 23 24 References 14 15 16 17 densities.

For instance, the preference of A–H···B hydrogen bonds to be linear can only be rationalized by assigning a dominant electrostatic nature to that interaction, and then looking at the most stable orientations of the dominant electrostatic components (in a hydrogen bonded dimer where the two monomers are neutral, the dipole–dipole component). Hereafter, we present in concise and pedagogic terms the basic principles of the nature, strength and directionality of the intermolecular interactions found in molecular crystals.

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Advances in Photochemistry by Noyes W


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