Symmetry-adapted perturbation theory based on unrestricted Kohn-Sham orbitals for high-spin open-shell van der Waals complexes

Can density functional theory describe the NO(X2Π)-Ar and NO(A2Σ+)-Ar van der Waals complexes?

(2012) Olga V. Ershova et al.   JOURNAL OF CHEMICAL PHYSICS

Study of Ion Specific Interactions of Alkali Cations with Dicarboxylate Dianions

(2012) Garold Murdachaew et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ab Initio Ground- and Excited-State Intermolecular Potential Energy Surfaces for the NO–Ne and NO–Ar van der Waals Complexes

(2012) Hubert Cybulski et al.   JOURNAL OF PHYSICAL CHEMISTRY A

New mechanistic insights to the O(3P) + propene reaction from multiplexed photoionization mass spectrometry

(2012) John D. Savee et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Interactions of ThO(X) with He, Ne and Ar from the ab initio coupled cluster and symmetry adapted perturbation theory calculations

(2011) Elvira R. Sayfutyarova et al.   CHEMICAL PHYSICS

Aurophilicity: The Effect of the Neutral Ligand L on [{ClAuL}2] Systems

(2011) Jesús Muñiz et al.   CHEMISTRY-A EUROPEAN JOURNAL

Long-range interactions between an atom in its ground S state and an open-shell linear molecule

(2011) Wojciech Skomorowski et al.   JOURNAL OF CHEMICAL PHYSICS

Aurophilic Interactions from Wave Function, Symmetry-Adapted Perturbation Theory, and Rangehybrid Approaches

(2011) Ru-Fen Liu et al.   Journal of Chemical Theory and Computation

First rate coefficients for an interstellar anion: application to the CN−-H2 collisional system

(2011) J. Kłos et al.   MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY

Cold heteromolecular dipolar collisions

(2011) Brian C. Sawyer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Large Effects of Electric Fields on Atom-Molecule Collisions at Millikelvin Temperatures

(2011) L. P. Parazzoli et al.   PHYSICAL REVIEW LETTERS

Density fitting of intramonomer correlation effects in symmetry-adapted perturbation theory

(2010) Edward G. Hohenstein et al.   JOURNAL OF CHEMICAL PHYSICS

Density fitting and Cholesky decomposition approximations in symmetry-adapted perturbation theory: Implementation and application to probe the nature of π-π interactions in linear acenes

(2010) Edward G. Hohenstein et al.   JOURNAL OF CHEMICAL PHYSICS

Bound Triplet Pairs in the Highest Spin States of Coinage Metal Clusters

(2010) David Danovich et al.   Journal of Chemical Theory and Computation

Long-range interaction for dimers of atmospheric interest: dispersion, induction and electrostatic contributions for O2O2, N2N2 and O2N2

(2010) Massimiliano Bartolomei et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Water Complexes of Important Air Pollutants: Geometries, Complexation Energies, Concentrations, Infrared Spectra, and Intrinsic Reactivity

(2010) Annia Galano et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The water-nitric oxide intermolecular potential-energy surface revisited

(2009) Hubert Cybulski et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initio potential energy surfaces for NH(Σ3−)–NH(Σ3−) with analytical long range

(2009) Liesbeth M. C. Janssen et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical chemistry of gold. III

(2008) Pekka Pyykkö   CHEMICAL SOCIETY REVIEWS

Orientation and alignment depolarization in OH(X Π2)+Ar/He collisions

(2008) Grant Paterson et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadditive interactions in ns2 and spin-polarized ns metal atom trimers

(2008) Jacek Kłos et al.   JOURNAL OF CHEMICAL PHYSICS

Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes

(2008) Piotr S. Żuchowski et al.   JOURNAL OF CHEMICAL PHYSICS

Interaction potential for the quintet state of the O2–O2 dimer from symmetry-adapted perturbation theory based on DFT description of monomers

(2007) P.S. Żuchowski   CHEMICAL PHYSICS LETTERS