Accurate dissociation energies of two isomers of the 1-naphthol⋅cyclopropane complex

Dispersion-Corrected Mean-Field Electronic Structure Methods

(2016) Stefan Grimme et al.   CHEMICAL REVIEWS

Experimental and Theoretical Determination of Dissociation Energies of Dispersion-Dominated Aromatic Molecular Complexes

(2016) Jann A. Frey et al.   CHEMICAL REVIEWS

Energetics and Predissociation Dynamics of Small Water, HCl, and Mixed HCl–Water Clusters

(2016) Amit K. Samanta et al.   CHEMICAL REVIEWS

The Cambridge Structural Database

(2016) Colin R. Groom et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

Structure and energetics of the anisole–Arn (n = 1, 2, 3) complexes: high-resolution resonant two-photon and threshold ionization experiments, and quantum chemical calculations

(2015) Federico Mazzoni et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A comparison of ab initio quantum-mechanical and experimental D0 binding energies of eleven H-bonded and eleven dispersion-bound complexes

(2015) Susanta Haldar et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Experimental and Theoretical Investigations of Energy Transfer and Hydrogen-Bond Breaking in Small Water and HCl Clusters

(2014) Amit K. Samanta et al.   ACCOUNTS OF CHEMICAL RESEARCH

Experimental and Theoretical Investigations of Energy Transfer and Hydrogen-Bond Breaking in the Water Dimer

(2012) Lee C. Ch’ng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Benchmarks for 0–0 transitions of aromatic organic molecules: DFT/B3LYP, ADC(2), CC2, SOS-CC2 and SCS-CC2 compared to high-resolution gas-phase data

(2012) Nina O. C. Winter et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Communication: Determination of the bond dissociation energy (D0) of the water dimer, (H2O)2, by velocity map imaging

(2011) Blithe E. Rocher-Casterline et al.   JOURNAL OF CHEMICAL PHYSICS

Experimental and theoretical determination of the accurate CH/π interaction energies in benzene–alkane clusters: correlation between interaction energy and polarizability

(2011) Asuka Fujii et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories

(2010) Kevin E. Riley et al.   CHEMICAL REVIEWS

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

Binary complexes of tertiary amines with phenylacetylene. Dispersion wins over electrostatics

(2010) Surajit Maity et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets

(2009) J. Grant Hill et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical Thermodynamics for Large Molecules: Walking the Thin Line between Accuracy and Computational Cost

(2008) Tobias Schwabe et al.   ACCOUNTS OF CHEMICAL RESEARCH

State of the art theoretical study and comparison to experiment for the phenol⋯argon complex

(2008) Jiří Černý et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmarking the performance of spin-component scaled CC2 in ground and electronically excited states

(2008) Arnim Hellweg et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

CH/π interactions in methane clusters with polycyclic aromatic hydrocarbons

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

Scope and limitations of the SCS-MP2 method for stacking and hydrogen bonding interactions

(2008) Rafał A. Bachorz 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