Hybrid QM/MM Embedding Approach for the Treatment of Localized Surface States in Ionic Materials

AA Sokol, ST Bromley, S.A. French, CRA Catlow, P Sherwood

Research output: Contribution to journal › Article › Scientific › peer-review

Original language	Undefined/Unknown
Pages (from-to)	695-712
Number of pages	18
Journal	International Journal of Quantum Chemistry
Volume	99
Publication status	Published - 2004

Keywords

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title = "Hybrid QM/MM Embedding Approach for the Treatment of Localized Surface States in Ionic Materials",

keywords = "academic journal papers, ZX CWTS JFIS < 1.00",

author = "AA Sokol and ST Bromley and S.A. French and CRA Catlow and P Sherwood",

year = "2004",

language = "Undefined/Unknown",

volume = "99",

pages = "695--712",

journal = "International Journal of Quantum Chemistry",

issn = "0020-7608",

publisher = "John Wiley & Sons",

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TY - JOUR

T1 - Hybrid QM/MM Embedding Approach for the Treatment of Localized Surface States in Ionic Materials

AU - Sokol, AA

AU - Bromley, ST

AU - French, S.A.

AU - Catlow, CRA

AU - Sherwood, P

PY - 2004

Y1 - 2004

KW - academic journal papers

KW - ZX CWTS JFIS < 1.00

M3 - Article

SN - 0020-7608

VL - 99

SP - 695

EP - 712

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

ER -