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
MP2/AVDZ optimized structures for the C 1 (a), the transition state (b)... | Download Scientific Diagram
Can Spin-Component Scaled MP2 Achieve kJ/mol Accuracy for Cohesive Energies of Molecular Crystals? | The Journal of Physical Chemistry Letters
Comparative study of CCSD(T) and DFT methods: Electronic (hyper)polarizabilities of glycine - ScienceDirect
Optimized geometries of C 6 H 5 CCHÁ Á ÁH 2 S at MP2/aug-cc-pVDZ level. | Download Scientific Diagram
Benchmark Structures and Harmonic Vibrational Frequencies Near the CCSD(T) Complete Basis Set Limit for Small Water Clusters: (H2O)n = 2, 3, 4, 5, 6 | Journal of Chemical Theory and Computation
PDF) Effects of counterpoise correction and basis set extrapolation on the MP2 geometries of hydrogen bonded dimers of ammonia, water, and hydrogen fluoride
Basis Set Limit of CCSD(T) Energies: Explicit Correlation Versus Density-Based Basis-Set Correction | Journal of Chemical Theory and Computation
On the inclusion of post‐MP2 contributions to double‐Hybrid density functionals - Chan - 2016 - Journal of Computational Chemistry - Wiley Online Library
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
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
Polarizabilities and second hyperpolarizabilities of hydrogen chains using the spin‐component‐scaled Møller–Plesset second‐order method - Champagne - 2009 - International Journal of Quantum Chemistry - Wiley Online Library
Ab initio composite methodologies: Their significance for the chemistry community - ScienceDirect
Dependence of absolute Hartree±Fock energies, E(HF), second-order,... | Download Scientific Diagram
The diamine cation is not a chemical example where density functional theory fails | Nature Communications
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
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
Model Chemistries
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.
The elusive diiodosulphanes and diiodoselenanes: Molecular Physics: Vol 120, No 22
