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Jeremias Schuermann et al.
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Airong Xu et al.
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Hanbin Liu et al.
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L. Martinez et al.
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Refined potential model for atomistic simulations of ionic liquid [bmim][PF6]
B. L. Bhargava et al.
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Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
Joost VandeVondele et al.
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Molecular force field for ionic liquids III:: Imidazolium, pyridinium, and phosphonium cations;: Chloride, bromide, and dicyanamide anions
Jose N. Canongia Lopes et al.
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XP Wu et al.
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JNC Lopes et al.
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ZP Liu et al.
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HW Horn et al.
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An efficient orbital transformation method for electronic structure calculations
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Crystal structure and hydrogen-bonding system in cellulose 1β from synchrotron X-ray and neutron fiber diffraction
Y Nishiyama et al.
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The first Bischler-Napieralski cyclization in a room temperature ionic liquid
ZMA Judeh et al.
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