Computational Chemistry
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- 2010
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Infrared Spectra and Quantum Chemical Calculations of the Uranium Carbide Molecules UC and CUC with Triple Bonds.
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- Contribution to journal › Article
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Molecular evidence of stereo-specific lactoferrin dimers in solution.
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- Contribution to journal › Article
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Dielectric Interpretation of Specificity of Ion Pairing in Water
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- Contribution to journal › Article
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Calculations and Matrix Infrared Spectra of Terminal Borylene Complexes FB=MF2
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- Contribution to journal › Article
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On the mechanism of dissolution of cellulose
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- Contribution to journal › Article
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Color-Tuning Mechanism of Firefly Investigated by Multi-Configurational Perturbation Method.
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- Contribution to journal › Article
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Electronic structure and chemical bonding in W-2 molecule
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- Contribution to journal › Article
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A NEMO potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizability.
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- Contribution to journal › Article
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The effect of polycations on early cement paste
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- Contribution to journal › Article
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An MM/3D-RISM approach for ligand binding affinities.
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- Contribution to journal › Article