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Electric field gradients from single-crystal X-ray diffraction data

✍ Scribed by Jörgen Tegenfeldt; Kersti Hermansson

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
519 KB
Volume
118
Category
Article
ISSN
0009-2614

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✦ Synopsis

Deutenum quadrupole coupling le~wrs have been calcdakI from diffraction determined charge distnbutions in nysalline LiOH-H,O. LiNOJ-3H,O and NaHq04-H,O. 'The sign. orientation, asymmetry and magnitude of These coupling LCINXS show good agreement with speclroscopic red&

📜 SIMILAR VOLUMES

Electric field gradients from generalize
Electric field gradients from generalized X-ray scattering factors
✍ Robert F. Stewart 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 326 KB

The electronic contributions to the clcctric field gradient for Nz are studied with the USC ofgenerali7ed X-r&y scattcring factors. Vibrational effects are neglected. It is shown for this example that the rclcvant charge density features are well within the resolution of the X-ray diffraction eupcri