Acta Crystallographica Section A

Foundations of Crystallography

Volume 53, Part 5 (September 1997)

research papers

Acta Cryst. (1997). A53, 603-614    [doi:10.1107/S010876739601570X]

The Use of Structure Analysis Methods in Combination with Semi-empirical Quantum-Chemical Calculations for the Estimation of Quadratic Nonlinear Optical Coefficients of Organic Crystals

A. V. Yakimanski, U. Kolb, G. N. Matveeva, I. G. Voigt-Martin and A. V. Tenkovtsev

Synopsis: Electron crystallography was combined with quantum-mechanical calculations in order to estimate quadratic nonlinear optical coefficients of two-dimensional organic molecules.

	Structure factor file (CIF format) (96.1 kbytes) Contains datablock DMABC
	Structure factor file (CIF format) (135.2 kbytes) Contains datablock nphu

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.