non-covalent interactions

Big Changes for Small Noncovalent Dimers: Revisiting the Potential Energy Surfaces of (P2)2 and (PCCP)2 with CCSD(T) Optimizations and Vibrational Frequencies
This article details the re-examination of low-lying stationary points on the potential energy surfaces (PESs) of two challenging …
Eric Van Dornshuld, Gregory S. Tschumper
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Big Changes for Small Noncovalent Dimers: Revisiting the Potential Energy Surfaces of (P2)2 and (PCCP)2 with CCSD(T) Optimizations and Vibrational Frequencies
Homogeneous and Heterogeneous Noncovalent Dimers of Formaldehyde and Thioformaldehyde: Structures, Energetics, and Vibrational Frequencies
This work provides the first characterization of five stationary points of the homogeneous thioformaldehyde dimer, (CH2S)2, and seven …
Eric Van Dornshuld, Christina M. Holy, Gregory S. Tschumper
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Homogeneous and Heterogeneous Noncovalent Dimers of Formaldehyde and Thioformaldehyde: Structures, Energetics, and Vibrational Frequencies
Characterization of the potential energy surfaces of two small but challenging noncovalent dimers: (P2)2 and (PCCP)2
This work characterizes eight stationary points of the P2 dimer and six stationary points of the PCCP dimer, including a newly …
Eric Van Dornshuld, Gregory S. Tschumper
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Characterization of the potential energy surfaces of two small but challenging noncovalent dimers: (P2)2 and (PCCP)2