QUASI: a general purpose implementation of the QM/MM approach and its application to problems in catalysis

P Sherwood; AH de Vries; MF Guest; G Schreckenbach; CRA Catlow; S.A. French; AA Sokol; ST Bromley; W Thiel; AJ Turner; S Billeter; F Terstegen; S Thiel; J Kendrick; SC Rogers; J Casci; M Watson; F King; E Karlsen; M Sjovoll; A Fahmi; A Schafer; C Lennartz

QUASI: a general purpose implementation of the QM/MM approach and its application to problems in catalysis

P Sherwood, AH de Vries, MF Guest, G Schreckenbach, CRA Catlow, S.A. French, AA Sokol, ST Bromley, W Thiel, AJ Turner, S Billeter, F Terstegen, S Thiel, J Kendrick, SC Rogers, J Casci, M Watson, F King, E Karlsen, M SjovollA Fahmi, A Schafer, C Lennartz

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

879 Citations (Scopus)

Original language	Undefined/Unknown
Pages (from-to)	1-28
Number of pages	28
Journal	Computational and Theoretical Chemistry
Volume	632
Publication status	Published - 2003

Keywords

academic journal papers
ZX CWTS JFIS < 1.00

Cite this

Sherwood, P., de Vries, AH., Guest, MF., Schreckenbach, G., Catlow, CRA., French, S. A., Sokol, AA., Bromley, ST., Thiel, W., Turner, AJ., Billeter, S., Terstegen, F., Thiel, S., Kendrick, J., Rogers, SC., Casci, J., Watson, M., King, F., Karlsen, E., ... Lennartz, C. (2003). QUASI: a general purpose implementation of the QM/MM approach and its application to problems in catalysis. Computational and Theoretical Chemistry, 632, 1-28.

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author = "P Sherwood and {de Vries}, AH and MF Guest and G Schreckenbach and CRA Catlow and S.A. French and AA Sokol and ST Bromley and W Thiel and AJ Turner and S Billeter and F Terstegen and S Thiel and J Kendrick and SC Rogers and J Casci and M Watson and F King and E Karlsen and M Sjovoll and A Fahmi and A Schafer and C Lennartz",

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Sherwood, P, de Vries, AH, Guest, MF, Schreckenbach, G, Catlow, CRA, French, SA, Sokol, AA, Bromley, ST, Thiel, W, Turner, AJ, Billeter, S, Terstegen, F, Thiel, S, Kendrick, J, Rogers, SC, Casci, J, Watson, M, King, F, Karlsen, E, Sjovoll, M, Fahmi, A, Schafer, A & Lennartz, C 2003, 'QUASI: a general purpose implementation of the QM/MM approach and its application to problems in catalysis', Computational and Theoretical Chemistry, vol. 632, pp. 1-28.

TY - JOUR

T1 - QUASI: a general purpose implementation of the QM/MM approach and its application to problems in catalysis

AU - Sherwood, P

AU - de Vries, AH

AU - Guest, MF

AU - Schreckenbach, G

AU - Catlow, CRA

AU - French, S.A.

AU - Sokol, AA

AU - Bromley, ST

AU - Thiel, W

AU - Turner, AJ

AU - Billeter, S

AU - Terstegen, F

AU - Thiel, S

AU - Kendrick, J

AU - Rogers, SC

AU - Casci, J

AU - Watson, M

AU - King, F

AU - Karlsen, E

AU - Sjovoll, M

AU - Fahmi, A

AU - Schafer, A

AU - Lennartz, C

PY - 2003

Y1 - 2003

KW - academic journal papers

KW - ZX CWTS JFIS < 1.00

M3 - Article

SN - 0166-1280

VL - 632

SP - 1

EP - 28

JO - Computational and Theoretical Chemistry

JF - Computational and Theoretical Chemistry

ER -