Quantum-chemical simulation of solid-state NMR spectra: the example of a molecular tweezer host–guest complex

Cholesky-decomposed densities in Laplace-based second-order Møller–Plesset perturbation theory

(2009) Jan Zienau et al.   JOURNAL OF CHEMICAL PHYSICS

Linear-scaling atomic orbital-based second-order Møller–Plesset perturbation theory by rigorous integral screening criteria

(2009) Bernd Doser et al.   JOURNAL OF CHEMICAL PHYSICS

Magnetic linear response properties calculations with the Gaussian and augmented-plane-wave method

(2009) Valéry Weber et al.   JOURNAL OF CHEMICAL PHYSICS

A combined experimental and theoretical study of the pH-dependent binding mode of NAD+by water-soluble molecular clips

(2009) Jolanta Polkowska et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Efficient linear-scaling calculation of response properties: Density matrix-based Laplace-transformed coupled-perturbed self-consistent field theory

(2008) Matthias Beer et al.   JOURNAL OF CHEMICAL PHYSICS

An atomic orbital-based reformulation of energy gradients in second-order Møller–Plesset perturbation theory

(2008) Sabine Schweizer et al.   JOURNAL OF CHEMICAL PHYSICS

Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications

(2008) Cesare Pisani et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Noncovalent interactions in supramolecular complexes: A study on corannulene and the double concave buckycatcher

(2008) Bryan M. Wong   JOURNAL OF COMPUTATIONAL CHEMISTRY

Hierarchical Self-Assembly of Aminopyrazole Peptides into Nanorosettes in Water

(2007) Petra Rzepecki et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY