On the inclusion of post‐MP2 contributions to double‐Hybrid density functionals - Chan - 2016 - Journal of Computational Chemistry - Wiley Online Library
MP2/4-31G** optimized geometries of CNH...CNH, CNH...NCH, NCH...NCH, and NCH...CNH complexes and the CNH and NCH monomers. Bond distances in Angstrom.
Quantification of Geometric Errors Made Simple: Application to Main-Group Molecular Structures | The Journal of Physical Chemistry A
Comparative study of CCSD(T) and DFT methods: Electronic (hyper)polarizabilities of glycine - ScienceDirect
MP2/AVDZ optimized structures for the C 1 (a), the transition state (b)... | Download Scientific Diagram
Basis Set Limit of CCSD(T) Energies: Explicit Correlation Versus Density-Based Basis-Set Correction | Journal of Chemical Theory and Computation
Dependence of absolute Hartree±Fock energies, E(HF), second-order,... | Download Scientific Diagram
MP2, CCSD(T), and Density Functional Theory Study of the 2-Butyl Cation: New Insight into the Methyl- and Hydrogen-Bridged Structures | The Journal of Physical Chemistry A
MP2/AVDZ optimized structures for the C 1 (a), the transition state (b)... | Download Scientific Diagram
Regularized Second-Order Møller–Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Computational Cost | The Journal of Physical Chemistry Letters
MP2-Based Correction Scheme to Approach the Limit of a Complete Pair Natural Orbitals Space in DLPNO-CCSD(T) Calculations | Journal of Chemical Theory and Computation
Plane Waves Versus Correlation-Consistent Basis Sets: A Comparison of MP2 Non-Covalent Interaction Energies in the Complete Basis Set Limit | Journal of Chemical Theory and Computation
Model Chemistries
Optimized geometries of C 6 H 5 CCHÁ Á ÁH 2 S at MP2/aug-cc-pVDZ level. | Download Scientific Diagram
MP2-Based Correction Scheme to Approach the Limit of a Complete Pair Natural Orbitals Space in DLPNO-CCSD(T) Calculations | Journal of Chemical Theory and Computation
Ab initio composite methodologies: Their significance for the chemistry community - ScienceDirect
Geometries of ammonia clusters at MP2/6±31++G(d,p) level. | Download Scientific Diagram
Structure of the three C 20 isomers optimized at MP2/cc-pVDZ level. | Download Scientific Diagram
B3LYP/AVDZ and MP2/AVDZ optimized geometries; the main parameters are... | Download Scientific Diagram
IJMS | Free Full-Text | Ab initio post-HF CCSD(T) Calculations for Triplet and Singlet Methylene in Four consecutive Dunning Basis Sets with Extrapolations to Infinite Limits for Various Molecular Properties
Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets. | Semantic Scholar
MP2-Based Correction Scheme to Approach the Limit of a Complete Pair Natural Orbitals Space in DLPNO-CCSD(T) Calculations | Journal of Chemical Theory and Computation
The diamine cation is not a chemical example where density functional theory fails | Nature Communications
MP2, CCSD(T), and Density Functional Theory Study of the 2-Butyl Cation: New Insight into the Methyl- and Hydrogen-Bridged Structures | The Journal of Physical Chemistry A
Benchmarking Antioxidant-Related Properties for Gallic Acid through the Use of DFT, MP2, CCSD, and CCSD(T) Approaches | The Journal of Physical Chemistry A
