Systematic study of the quality of various quantum similarity descriptors. Use of the autocorrelation function and principal component analysis

G. Boon; W. Langenaeker; F. de Proft; H. de Winter; J.P.A.E. Tollenaere; P. Geerlings

Systematic study of the quality of various quantum similarity descriptors. Use of the autocorrelation function and principal component analysis

G. Boon, W. Langenaeker, F. de Proft, H. de Winter, J.P.A.E. Tollenaere, P. Geerlings

extern

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

Original language	Undefined/Unknown
Pages (from-to)	8805-8814
Number of pages	10
Journal	Journal of Physical Chemistry A
Volume	105
Publication status	Published - 2001

Keywords

Farmacie/Biofarmaceutische wetenschappen (FARM)
Biophysics
Farmacie(FARM)
Farmaceutische produkten
Occupational medicine
Biomedische technologie en medicijnen
Nutrition sciences

Cite this

@article{05ba07f301d5454a8c28e9a6a12df074,

title = "Systematic study of the quality of various quantum similarity descriptors. Use of the autocorrelation function and principal component analysis",

keywords = "Farmacie/Biofarmaceutische wetenschappen (FARM), Biophysics, Farmacie(FARM), Farmaceutische produkten, Occupational medicine, Biomedische technologie en medicijnen, Nutrition sciences",

author = "G. Boon and W. Langenaeker and {de Proft}, F. and {de Winter}, H. and J.P.A.E. Tollenaere and P. Geerlings",

year = "2001",

language = "Undefined/Unknown",

volume = "105",

pages = "8805--8814",

journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "American Chemical Society",

}

TY - JOUR

T1 - Systematic study of the quality of various quantum similarity descriptors. Use of the autocorrelation function and principal component analysis

AU - Boon, G.

AU - Langenaeker, W.

AU - de Proft, F.

AU - de Winter, H.

AU - Tollenaere, J.P.A.E.

AU - Geerlings, P.

PY - 2001

Y1 - 2001

KW - Farmacie/Biofarmaceutische wetenschappen (FARM)

KW - Biophysics

KW - Farmacie(FARM)

KW - Farmaceutische produkten

KW - Occupational medicine

KW - Biomedische technologie en medicijnen

KW - Nutrition sciences

M3 - Article

SN - 1089-5639

VL - 105

SP - 8805

EP - 8814

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

ER -