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Accurate Lattice Energies of Organic Molecular Crystals from Periodic Turbomole Calculations

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Buchholz,  Hannes Konrad
Physical and Chemical Foundations of Process Engineering, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society;

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Stein,  Matthias
Molecular Simulations and Design, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society;

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buchholz_2557877_ams.pdf
(Postprint), 642KB

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Citation

Buchholz, H. K., & Stein, M. (2018). Accurate Lattice Energies of Organic Molecular Crystals from Periodic Turbomole Calculations. Journal of Computational Chemistry, 39(19), 1335-1343. doi:10.1002/jcc.25205.


Cite as: http://hdl.handle.net/21.11116/0000-0000-CFC2-C
Abstract
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