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The top documents tagged [ab initio theory]
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ab initio theory
Artem R. Oganov- High-Pressure Crystallogaphy
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CurrentStatusAMOEBA ForceField
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Quantum Dots
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. Chapter 1. Introduction, perspectives, and aims. On the science of simulation and modelling. Modelling at bulk, meso, and nano scale. (2 hours). Chapter.
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The D istributions of Baryons in the Universe and the W arm H ot I ntergalactic Medium
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Some interstellar molecules: ab initio theory, laboratory spectroscopy and (radio) astronomy
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The Distributions of Baryons in the Universe and the Warm Hot Intergalactic Medium Baryonic budget at z=0 Overall thermal timeline of baryons from z=1000.
212 views
Computing Atomic Nuclei Witold Nazarewicz (UTK/ORNL)
43 views