QM and QM/MM Studies of Selectivity in Organic and Bioorganic Chemistry

JN Harvey; VK Aggarwal; C Bathelt; J-L Carréon-Macédo; T Gallagher; N (UG) Holzmann; AJ Mulholland; R Robiette

doi:10.1002/poc.1030

QM and QM/MM Studies of Selectivity in Organic and Bioorganic Chemistry

JN Harvey, VK Aggarwal, C Bathelt, J-L Carréon-Macédo, T Gallagher, N (UG) Holzmann, AJ Mulholland, R Robiette

Research output: Contribution to journal › Article (Academic Journal) › peer-review

13 Citations (Scopus)

Translated title of the contribution	QM and QM/MM Studies of Selectivity in Organic and Bioorganic Chemistry
Original language	English
Pages (from-to)	608 - 615
Number of pages	7
Journal	Journal of Physical Organic Chemistry
Volume	19
DOIs	https://doi.org/10.1002/poc.1030
Publication status	Published - Dec 2006

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Publisher: Wiley

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10.1002/poc.1030

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Cite this

@article{d090b0492d6842cdba8f2344baa1e4ee,

title = "QM and QM/MM Studies of Selectivity in Organic and Bioorganic Chemistry",

author = "JN Harvey and VK Aggarwal and C Bathelt and J-L Carr{\'e}on-Mac{\'e}do and T Gallagher and Holzmann, {N (UG)} and AJ Mulholland and R Robiette",

note = "Publisher: Wiley",

year = "2006",

month = dec,

doi = "10.1002/poc.1030",

language = "English",

volume = "19",

pages = "608 -- 615",

journal = "Journal of Physical Organic Chemistry",

issn = "0894-3230",

publisher = "Wiley",

}

TY - JOUR

T1 - QM and QM/MM Studies of Selectivity in Organic and Bioorganic Chemistry

AU - Harvey, JN

AU - Aggarwal, VK

AU - Bathelt, C

AU - Carréon-Macédo, J-L

AU - Gallagher, T

AU - Holzmann, N (UG)

AU - Mulholland, AJ

AU - Robiette, R

N1 - Publisher: Wiley

PY - 2006/12

Y1 - 2006/12

U2 - 10.1002/poc.1030

DO - 10.1002/poc.1030

M3 - Article (Academic Journal)

SN - 0894-3230

VL - 19

SP - 608

EP - 615

JO - Journal of Physical Organic Chemistry

JF - Journal of Physical Organic Chemistry

ER -