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Author
6
Papageorgiou, D. G.
4
Lagaris, I. E.
1
Dimakopoulos, K. D.
1
Kalatzis, F. G.
1
Papadimitriou, P. T.
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2
curve-fitting
2
merlin
2
modeling
2
neural network training
2
optimization
1
ab initio potential energy scans
1
algorithm
1
basis set superposition error
1
benzene-water dimer
1
complex-molecules
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journalArticle
Date
3
2000 - 2007
3
1996 - 1999
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ΑΠΟΘΕΤΗΡΙΟ "ΟΛΥΜΠΙΑΣ"
Σχολή Θετικών Επιστημών
Τμήμα Μηχανικών Επιστήμης Υλικών
Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά)
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Results 1-6 of 6 (Search time: 0.003 seconds).
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The Merlin Control Language for strategic optimization (Journal article)
Triglyceride reference database: large scale storage of 3D triglyceride conformers and web-based analysis tools (Journal article)
MERLIN-3.0 - A multidimensional optimization environment (Journal article)
MERLIN-3.1.1. A new version of the Merlin optimization environment (Journal article)
How many conformers of the 1,2,3-propanetriol triacetate are present in gas phase and in aqueous solution? (Journal article)
A programmable optimization environment using the GAMESS-US and MERLIN/MCL packages. Applications on intermolecular interaction energies (Journal article)