Molecules | Free Full-Text | The Diverse World of Foldamers: Endless Possibilities of Self-Assembly
Ab Initio-Based Kinetic Modeling for the Design of Molecular Catalysts: The Case of H2 Production Electrocatalysts | ACS Catalysis
Ab Initio Evaluation of Complexation Energies for Cyclodextrin-Drug Inclusion Complexes | ACS Omega
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Ab Initio Studies of Aromatic Excimers Using Multiconfiguration Quasi-Degenerate Perturbation Theory | The Journal of Physical Chemistry A
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2 in Water To Form Their [(η6-Cp*Rh-Tyr#)-GPCR peptide]2+ ...](https://pubs.acs.org/cms/10.1021/acs.organomet.2c00259/asset/images/acs.organomet.2c00259.social.jpeg_v03 "MD-DFT Computational Studies on the Mechanistic and Conformational Parameters for the Chemoselective Tyrosine Residue Reactions of G-Protein-Coupled Receptor Peptides with [Cp*Rh(H2O)3](OTf)2 in Water To Form Their [(η6-Cp*Rh-Tyr#)-GPCR peptide]2+ ...")
MD-DFT Computational Studies on the Mechanistic and Conformational Parameters for the Chemoselective Tyrosine Residue Reactions of G-Protein-Coupled Receptor Peptides with [Cp*Rh(H2O)3](OTf)2 in Water To Form Their [(η6-Cp*Rh-Tyr#)-GPCR peptide]2+ ...
Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity | Journal of Chemical Information and Modeling
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Molecular Design and Ordering Effects in π-Functional Materials for Transistor and Solar Cell Applications | Journal of the American Chemical Society
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Molecules | Free Full-Text | Theoretical Study on the Origin of Abnormal Regioselectivity in Ring-Opening Reaction of Hexafluoropropylene Oxide
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IJMS | Free Full-Text | The Pnictogen Bond, Together with Other Non-Covalent Interactions, in the Rational Design of One-, Two- and Three-Dimensional Organic-Inorganic Hybrid Metal Halide Perovskite Semiconducting Materials, and Beyond
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Molecules | Free Full-Text | High-Density “Windowpane” Coordination Patterns of Water Clusters and Their NBO/NRT Characterization
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Cyclopropenylidene: Clustering and Interaction with Water Molecules | The Journal of Physical Chemistry A
