skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Density functional theory (DFT) calculations on the structures of 2:1 clay minerals

Technical Report ·
OSTI ID:816204

No abstract prepared.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Director, Office of Science (US)
DOE Contract Number:
AC03-76SF00098
OSTI ID:
816204
Report Number(s):
LBNL-48577; R&D Project: A68208; TRN: US200320%%313
Resource Relation:
Other Information: PBD: 1 Jul 2001
Country of Publication:
United States
Language:
English

Similar Records

Ab initio computational crystallography of 2:1 clay minerals: 1. Pyrophyllite-1Tc
Journal Article · Thu Jan 02 00:00:00 EST 2003 · Journal of Physical Chemistry B: Materials, Surfaces, Interfaces, amp Biophysical · OSTI ID:816204

VNb{sub 9}O{sub 25-{delta}}-Synthesis, electrical conducting behaviour and density functional theory (DFT) calculation
Journal Article · Sat Aug 15 00:00:00 EDT 2009 · Journal of Solid State Chemistry · OSTI ID:816204

Theoretical x-ray photoelectron and emission spectra of Si- and S-containing polymers by density-functional theory calculations using model molecules
Journal Article · Thu Apr 12 00:00:00 EDT 2001 · Journal of Molecular Structure · OSTI ID:816204