Stacking of Benzene with Metal Chelates: Calculated CCSD(T)/CBS Interaction Energies and Potential-Energy Curves

Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies

(2013) Dušan N. Sredojević et al.   CHEMPHYSCHEM

Square-Planar Cu(II) Diketiminate Complexes in Lactide Polymerization

(2013) Todd J. J. Whitehorne et al.   INORGANIC CHEMISTRY

Perovskite-Based Solar Cells

(2013) G. Hodes   SCIENCE

Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C6-aromatic rings

(2012) Dušan N. Sredojević et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Parallel Interactions at Large Horizontal Displacement in Pyridine-Pyridine and Benzene-Pyridine Dimers

(2012) Dragan B. Ninković et al.   CHEMPHYSCHEM

Supramolecular assemblies involving metal–organic ring interactions: heterometallic Cu(ii)–Ln(iii) two-dimensional coordination polymers

(2012) Konstantis F. Konidaris et al.   CRYSTENGCOMM

Shedding Light on Intermolecular Metal-Organic Ring Interactions by Theoretical Studies

(2012) Konstantis F. Konidaris et al.   ChemPlusChem

Taking the Aromaticity out of Aromatic Interactions

(2011) Jacob W. G. Bloom et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures

(2011) Laura M. Salonen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

What Are the Preferred Horizontal Displacements in Parallel Aromatic-Aromatic Interactions? Significant Interactions at Large Displacements

(2011) Dragan B. Ninković et al.   CHEMPHYSCHEM

Peculiar structural findings in coordination chemistry of malonamide–N,N′-diacetic acid

(2011) Konstantis F. Konidaris et al.   CRYSTENGCOMM

Concentration dependent tautomerism in green [Cu(HL1)(L2)] and brown [Cu(L1)(HL2)] with H2L1 = (E)-N′-(2-hydroxy-3-methoxybenzylidene)benzoylhydrazone and HL2 = pyridine-4-carboxylic (isonicotinic) acid

(2011) Hassan Hosseini Monfared et al.   DALTON TRANSACTIONS

Approximations to complete basis set-extrapolated, highly correlated non-covalent interaction energies

(2011) Iain D. Mackie et al.   JOURNAL OF CHEMICAL PHYSICS

Local Nature of Substituent Effects in Stacking Interactions

(2011) Steven E. Wheeler   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Evidence of Chelate−Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes

(2010) Dušan N. Sredojević et al.   CRYSTAL GROWTH & DESIGN

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

(2010) Felipe A. Bulat et al.   JOURNAL OF MOLECULAR MODELING

MOFs, MILs and more: concepts, properties and applications for porous coordination networks (PCNs)

(2010) Christoph Janiak et al.   NEW JOURNAL OF CHEMISTRY

Correction for dispersion and Coulombic interactions in molecular clusters with density functional derived methods: Application to polycyclic aromatic hydrocarbon clusters

(2009) Mathias Rapacioli et al.   JOURNAL OF CHEMICAL PHYSICS

Mechanism of Water Splitting and Oxygen−Oxygen Bond Formation by a Mononuclear Ruthenium Complex

(2009) Xinzheng Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Investigation of the benzene-dimer potential energy surface: DFT/CCSD(T) correction scheme

(2008) Ota Bludský et al.   JOURNAL OF CHEMICAL PHYSICS

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS