Química teórica e computacional
QTEC
Norwegian University of Science and Technology
Trondheim, NoruegaPublicacións en colaboración con investigadores/as de Norwegian University of Science and Technology (7)
2014
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The Dalton quantum chemistry program system
Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 4, Núm. 3, pp. 269-284
2011
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The CCSD(T) model with Cholesky decomposition of orbital energy denominators
International Journal of Quantum Chemistry, Vol. 111, Núm. 2, pp. 349-355
2009
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The benzene-argon ground-state intermolecular potential energy surface revisited
Journal of Physical Chemistry A, Vol. 113, Núm. 17, pp. 5212-5216
2007
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Coupled cluster calculations of interaction energies in benzene-fluorobenzene van der Waals complexes
Chemical Physics Letters, Vol. 441, Núm. 4-6, pp. 332-335
2006
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Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex
Journal of Chemical Physics, Vol. 124, Núm. 20
2003
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Benzene-argon triplet intermolecular potential energy surface
Journal of Chemical Physics, Vol. 119, Núm. 9, pp. 4762-4767
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Computational and experimental investigation of intermolecular states and forces in the benzene-helium van der Waals complex
Journal of Chemical Physics, Vol. 119, Núm. 24, pp. 12956-12964