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Study on the surface hydroxyl group on solid breeding materials by ab-initio calculations

Abstract

The nature of -OH on the surface of Li{sub 2}O was analyzed with the ab-initio quantum chemical calculation technique. Calculation results showed that the stretching vibration of O-H is affected by the chemical species around the -OH. (author)
Authors:
Tanaka, Satoru; Taniguchi, Masaki [1] 
  1. Tokyo Univ. (Japan). Faculty of Engineering
Publication Date:
Oct 01, 1996
Product Type:
Technical Report
Report Number:
UTNL-R-0345
Reference Number:
SCA: 400201; PA: JPN-97:006047; EDB-97:108158; SN: 97001822937
Resource Relation:
Other Information: PBD: Oct 1996; Related Information: Is Part Of Annual report of the CTR Blanket Engineering Research Facility in 1995; PB: 168 p.
Subject:
40 CHEMISTRY; HYDROXY COMPOUNDS; BOND LENGTHS; LITHIUM OXIDES; C CODES; HARTREE-FOCK METHOD; MOLECULAR ORBITAL METHOD; ADSORPTION; SURFACES; INTERMOLECULAR FORCES
OSTI ID:
506231
Research Organizations:
Tokyo Univ., Tokai, Ibaraki (Japan). Nuclear Engineering Research Lab.
Country of Origin:
Japan
Language:
English
Other Identifying Numbers:
Other: ON: DE97736275; TRN: JP9706047
Availability:
OSTI as DE97736275
Submitting Site:
JPN
Size:
pp. 106-107
Announcement Date:

Citation Formats

Tanaka, Satoru, and Taniguchi, Masaki. Study on the surface hydroxyl group on solid breeding materials by ab-initio calculations. Japan: N. p., 1996. Web.
Tanaka, Satoru, & Taniguchi, Masaki. Study on the surface hydroxyl group on solid breeding materials by ab-initio calculations. Japan.
Tanaka, Satoru, and Taniguchi, Masaki. 1996. "Study on the surface hydroxyl group on solid breeding materials by ab-initio calculations." Japan.
@misc{etde_506231,
title = {Study on the surface hydroxyl group on solid breeding materials by ab-initio calculations}
author = {Tanaka, Satoru, and Taniguchi, Masaki}
abstractNote = {The nature of -OH on the surface of Li{sub 2}O was analyzed with the ab-initio quantum chemical calculation technique. Calculation results showed that the stretching vibration of O-H is affected by the chemical species around the -OH. (author)}
place = {Japan}
year = {1996}
month = {Oct}
}