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Volumn 115, Issue 50, 2011, Pages 24937-24944

Sarin degradation using brucite

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; BRUCITE; DEACTIVATION PROCESS; DEGRADATION REACTION; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELEMENTARY REACTION; FREE-ENERGY DIFFERENCE; HYDROXYL ANIONS; INFRARED VIBRATIONAL SPECTRA; LAYERED HYDROXIDES; ORGANOPHOSPHORUS COMPOUNDS; PERIODIC BOUNDARY CONDITIONS; PHOSPHORUS ATOM; RATE-LIMITING STEPS; REACTION PATHS; TRANSITION STATE;

EID: 84857282342     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp208598c     Document Type: Article
Times cited : (32)

References (56)
  • 41
    • 84857325362 scopus 로고    scopus 로고
    • http://www.pwscf.org
    • Quantum-ESPRESSO is a community project for high-quality quantum-simulation software, based on density-functional theory, and coordinated by Paolo Giannozzi. See http://www.quantum-espresso. org and http://www.pwscf.org.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.