Modelling Spectroscropic Properties of Large Molecular Systems. The Combined Density Functional Theory/Molecular Mechanics Approach

Kestutis Aidas, Kurt Valentin Mikkelsen, Jacob Kongsted

10 Citations (Scopus)

Original language	English
Journal	Journal of Computational Methods in Sciences and Engineering
Volume	7
Pages (from-to)	135-158
ISSN	1472-7978
Publication status	Published - 2007

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Research output: Contribution to journal › Journal article › Research › peer-review

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title = "Modelling Spectroscropic Properties of Large Molecular Systems. The Combined Density Functional Theory/Molecular Mechanics Approach",

author = "Kestutis Aidas and Mikkelsen, {Kurt Valentin} and Jacob Kongsted",

year = "2007",

language = "English",

volume = "7",

pages = "135--158",

journal = "Journal of Computational Methods in Sciences and Engineering",

issn = "1472-7978",

publisher = "I O S Press",

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T1 - Modelling Spectroscropic Properties of Large Molecular Systems. The Combined Density Functional Theory/Molecular Mechanics Approach

AU - Aidas, Kestutis

AU - Mikkelsen, Kurt Valentin

AU - Kongsted, Jacob

PY - 2007

Y1 - 2007

M3 - Journal article

SN - 1472-7978

VL - 7

SP - 135

EP - 158

JO - Journal of Computational Methods in Sciences and Engineering

JF - Journal of Computational Methods in Sciences and Engineering

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