Molecules | Free Full-Text | Toward Exploring Novel Organic Materials: MP4-DFT Properties of 4-Amino-3-Iminoindene
![Molecules | Free Full-Text | Relationships between Interaction Energy and Electron Density Properties for Homo Halogen Bonds of the [(A)nY–X···X–Z(B)m] Type (X = Cl, Br, I)](https://pub.mdpi-res.com/molecules/molecules-24-02733/article_deploy/html/images/molecules-24-02733-ag.png?1565614616 "Molecules | Free Full-Text | Relationships between Interaction Energy and Electron Density Properties for Homo Halogen Bonds of the [(A)nY–X···X–Z(B)m] Type (X = Cl, Br, I)")
Molecules | Free Full-Text | Relationships between Interaction Energy and Electron Density Properties for Homo Halogen Bonds of the [(A)nY–X···X–Z(B)m] Type (X = Cl, Br, I)
CCSD and ph-AFQMC timings for the benchmark systems in Table I... | Download Scientific Diagram
The calculated binding energies in cm 1 ) at the MP2 , MP3 , MP4 , CCSD... | Download Scientific Diagram
Torsional potential of nitrosoformaldehyde at the extrapolated HF,... | Download Scientific Diagram
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Walltime for the CCSD(T) calculation of total energy of (H 2 O) 20 as a... | Download Scientific Diagram
Scaled MP3 Non‐Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data - Pitoňák - 2009 - ChemPhysChem - Wiley Online Library
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The calculated binding energies in cm 1 ) at the MP2 , MP3 , MP4 , CCSD... | Download Scientific Diagram
CCSD and ph-AFQMC timings for the benchmark systems in Table I... | Download Scientific Diagram
Linear polarizabilities and second hyperpolarizabilities of streptocyanines: Results from broken‐Symmetry DFT and new CCSD(T) benchmarks - Xu - 2018 - Journal of Computational Chemistry - Wiley Online Library
Theoretical Description of Water from Single-Molecule to Condensed Phase: Recent Progress on Potential Energy Surfaces and Molecular Dynamics
Benchmark of the functionals versus (A) accurate CCSD(T)/CBS results... | Download Scientific Diagram
CCSD and ph-AFQMC timings for the benchmark systems in Table I... | Download Scientific Diagram
The calculated binding energies in cm 1 ) at the MP2 , MP3 , MP4 , CCSD... | Download Scientific Diagram
