Accurate prediction of polarised high order electrostatic interactions for hydrogen bonded complexes using the machine learning method kriging

Timothy J Hughes; Shaun M Kandathil; Paul L A Popelier

doi:10.1016/j.saa.2013.10.059

Accurate prediction of polarised high order electrostatic interactions for hydrogen bonded complexes using the machine learning method kriging

Timothy J Hughes
, Shaun M Kandathil
, Paul L A Popelier

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

Original language	English
Pages (from-to)	32-41
Number of pages	10
Journal	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Volume	136 Pt A
DOIs	https://doi.org/10.1016/j.saa.2013.10.059
Publication status	Published - 2015

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10.1016/j.saa.2013.10.059

Cite this

@article{77bd56bf2bb342af924ee1352e47d96d,

title = "Accurate prediction of polarised high order electrostatic interactions for hydrogen bonded complexes using the machine learning method kriging",

author = "Hughes, \{Timothy J\} and Kandathil, \{Shaun M\} and Popelier, \{Paul L A\}",

note = "Times Cited: 1",

year = "2015",

doi = "10.1016/j.saa.2013.10.059",

language = "English",

volume = "136 Pt A",

pages = "32--41",

journal = "Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy",

issn = "1873-3557",

publisher = "Elsevier BV",

}

Accurate prediction of polarised high order electrostatic interactions for hydrogen bonded complexes using the machine learning method kriging. / Hughes, Timothy J; Kandathil, Shaun M; Popelier, Paul L A.
In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, Vol. 136 Pt A, 2015, p. 32-41.

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

TY - JOUR

T1 - Accurate prediction of polarised high order electrostatic interactions for hydrogen bonded complexes using the machine learning method kriging

AU - Hughes, Timothy J

AU - Kandathil, Shaun M

AU - Popelier, Paul L A

N1 - Times Cited: 1

PY - 2015

Y1 - 2015

U2 - 10.1016/j.saa.2013.10.059

DO - 10.1016/j.saa.2013.10.059

M3 - Article

SN - 1873-3557

VL - 136 Pt A

SP - 32

EP - 41

JO - Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

JF - Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

ER -