Modulation of Stacking Interactions by Transition-Metal Coordination: Ab Initio Benchmark Studies

Metal complexes as structure-selective binding agents for nucleic acids

(2009) F. Richard Keene et al.   COORDINATION CHEMISTRY REVIEWS

Explicitly correlated intermolecular distances and interaction energies of hydrogen bonded complexes

(2009) Joseph R. Lane et al.   JOURNAL OF CHEMICAL PHYSICS

Balance of Attraction and Repulsion in Nucleic-Acid Base Stacking: CCSD(T)/Complete-Basis-Set-Limit Calculations on Uracil Dimer and a Comparison with the Force-Field Description

(2009) Claudio A. Morgado et al.   Journal of Chemical Theory and Computation

Benchmark Energetic Data in a Model System for Grubbs II Metathesis Catalysis and Their Use for the Development, Assessment, and Validation of Electronic Structure Methods

(2009) Yan Zhao et al.   Journal of Chemical Theory and Computation

Performance of Becke’s half-and-half functional for non-covalent interactions: energetics, geometries and electron densities

(2009) Konstantinos Gkionis et al.   JOURNAL OF MOLECULAR MODELING

Medicinal Organometallic Chemistry: Designing Metal Arene Complexes as Anticancer Agents

(2008) Anna F. A. Peacock et al.   Chemistry-An Asian Journal

Auxiliary basis sets for density fitting–MP2 calculations: Nonrelativistic triple-ζ all-electron correlation consistent basis sets for the 3d elements Sc–Zn

(2008) J. Grant Hill et al.   JOURNAL OF CHEMICAL PHYSICS

Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions

(2008) Yan Zhao et al.   Journal of Chemical Theory and Computation

Toward More Efficient CCSD(T) Calculations of Intermolecular Interactions in Model Hydrogen-Bonded and Stacked Dimers

(2008) Pavlína Dedíková et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Toward the Exact Solution of the Electronic Schrödinger Equation for Noncovalent Molecular Interactions:  Worldwide Distributed Quantum Monte Carlo Calculations†

(2008) Martin Korth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions

(2008) Oliver Marchetti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nature and magnitude of aromatic stacking of nucleic acid bases

(2008) Jiří Šponer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nature and physical origin of CH/π interaction: significant difference from conventional hydrogen bonds

(2008) Seiji Tsuzuki et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS