118 research outputs found
MCSCF Study of Multiple Bonding between Ti and the Main-Group Elements C, Si, N, and P
A Hirshfeld partitioning of the MP2 correlation energy : method and its application to the benzene dimers
A Hirshfeld Partitioning of the MP2 Correlation Energy: Method and Its Application to the Benzene Dimers
Virtual Tensile Test for Brittle, Plastic, and Elastic Polymorphs of 4Bromophenyl 4Bromobenzoate
Steric and Electronic Effects in Half-Sandwich Ruthenium Silane σ-Complexes with Si−H and Si−Cl Interligand Interactions
Accessing Metal−Carbide Chemistry. A Computational Analysis of Thermodynamic Considerations
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