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The top documents tagged [quantum chemical calculations]
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Thermodynamic characterization of metal dissolution and inhibitor adsorption processes on mild steel by 1-hexyl-3- methylimidazolium chloride in 2M sulphuric acid medium
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Nature Reviews Drug Discovery 12(12),948–962 (2013)
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Calculation of Dihedral Angle Using different Basises
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Quantum Chemical Cluster Studies of Ice-Bound Reactions of Formaldehyde (H 2 CO), Acetaldehyde (CH 3 CHO), or Acetone (CH 3 COCH 3 ) with Ammonia (NH 3
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