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Fragmentation Methods: A Route to Accurate Calculations on Large Systems

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Solvent and conformation dependence of amide I vibrations in peptides and proteins containing proline

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Vibrational solvatochromism and electrochromism of infrared probe molecules containing C≡O, C≡N, C=O, or C−F vibrational chromophore

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2DIR Spectroscopy of Human Amylin Fibrils Reflects Stable β-Sheet Structure

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Charge-transfer in Symmetry-Adapted Perturbation Theory

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Vibrational solvatochromism and electrochromism: Coarse-grained models and their relationships

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Red-Shifted Hydrogen Bonds and Blue-Shifted van der Waals Contact in the Standard Watson−Crick Adenine−Thymine Base Pair

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Nitrile groups as vibrational probes of biomolecular structure and dynamics: an overview

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Cooperativity in noncovalent interactions of biologically relevant molecules

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Exchange repulsion between effective fragment potentials and ab initio molecules

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DFT-Based Linear Solvation Energy Relationships for the Infrared Spectral Shifts of Acetone in Polar and Nonpolar Organic Solvents

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