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DALTON2013 – Dalton Program Manual K. Aidas C. Angeli, K. L. Bak, V. Bakken, R. Bast, L. Boman, O. Christiansen, R. Cimiraglia, S. Coriani, P. Dahle, E. K. Dalskov, T. Enevoldsen, J. J. Eriksen, B. Fern´andez, L. Ferr
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Document Date: 2015-02-18 11:40:57
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File Size: 1,48 MB
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City
London /
/
Company
T. Saue S. P. A. /
/
IndustryTerm
energy calculation /
relative translational energy release /
energy denominators /
model energy calculations /
energy /
/
Person
K. L. Bak /
V /
Dalton Tool /
/
Position
General /
D. J. /
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Technology
asymmetric Lanczos algorithm /
/
SocialTag
Theoretical chemistry
Chemical properties
Computational chemistry
Spectroscopy
Nuclear magnetic resonance
Dipole
Basis set
Chemistry
Science
Quantum chemistry