Molecular Design and Ordering Effects in π-Functional Materials for Transistor and Solar Cell Applications | Journal of the American Chemical Society
Molecules | Free Full-Text | High-Density “Windowpane” Coordination Patterns of Water Clusters and Their NBO/NRT Characterization
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Ab Initio Evaluation of Complexation Energies for Cyclodextrin-Drug Inclusion Complexes | ACS Omega
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
Catalyst‐ and Solvent‐Free Thioamidation of Aromatic Aldehydes through a Willgerodt‐Kindler Reaction - Kale - 2022 - ChemistrySelect - Wiley Online Library
Molecules | Free Full-Text | Theoretical Study on the Origin of Abnormal Regioselectivity in Ring-Opening Reaction of Hexafluoropropylene Oxide
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Molecules | Free Full-Text | An Efficient Approach to Large-Scale Ab Initio Conformational Energy Profiles of Small Molecules
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Cyclopropenylidene: Clustering and Interaction with Water Molecules | The Journal of Physical Chemistry A
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Ab Initio-Based Kinetic Modeling for the Design of Molecular Catalysts: The Case of H2 Production Electrocatalysts | ACS Catalysis
Molecules | Free Full-Text | The Diverse World of Foldamers: Endless Possibilities of Self-Assembly
