Related references
Note: Only part of the references are listed.Interaction-induced electric properties in Kr-Ne from ab initio and DFT calculations. Is there a discrepancy between theory and experiment for the dipole moment?
Agesilaos Chantzis et al.
CHEMICAL PHYSICS LETTERS (2011)
Assessment of DFT functionals for the calculation of interaction-induced electric properties of molecular complexes
A. Zawada et al.
CHEMICAL PHYSICS LETTERS (2011)
Confinement Effect on p-Nitroaniline Electronic Spectrum and Electric Properties
Anna Kaczmarek-Kedziera
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Large Changes of Static Electric Properties Induced by Hydrogen Bonding: An ab Initio Study of Linear HCN Oligomers
Robert W. Gora et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Many-body interactions and the electric response of hydrogen-bonded molecular chains
A. Zawada et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2011)
Interaction-induced electric properties and cooperative effects in model systems
Angelika Baranowska et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Accurate interaction energies at density functional theory level by means of an efficient dispersion correction
Alisa Krishtal et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Accurate dipole polarizabilities for water clusters n=2-12 at the coupled-cluster level of theory and benchmarking of various density functionals
Jeff R. Hammond et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
On the basis set superposition error in supermolecular calculations of interaction-induced electric properties: many-body components
Bartlomiej Skwara et al.
THEORETICAL CHEMISTRY ACCOUNTS (2009)
The role of dispersion correction to DFT for modelling weakly bound molecular complexes in the ground and excited electronic states
Vincenzo Barone et al.
CHEMICAL PHYSICS (2008)
Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability
Kyrill Yu. Suponitsky et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Density functionals for noncovalent interaction energies of biological importance
Yan Zhao et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
Interaction dipole moment in Rg-Xe (Rg = He, Ne, Ar, and Kr) heterodiatoms from conventional ab initio and density functional theory calculations
Anastasios Haskopoulos et al.
JOURNAL OF MATHEMATICAL CHEMISTRY (2006)
High-order correlation effects on dynamic hyperpolarizabilities and their geometric derivatives:: A comparison with density functional results
M Pecul et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Orbital-free embedding applied to the calculation of induced dipole moments in CO2•••X (X=He, Ne, Ar, Kr, Xe, Hg) van der Waals complexes -: art. no. 174104
CR Jacob et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Benchmark databases for nonbonded interactions and their use to test density functional theory
Y Zhao et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)
Interaction dipole moment, polarizability and hyperpolarizability in the KrXe heterodiatom
A Haskopoulos et al.
CHEMICAL PHYSICS (2005)
A comparison of density-functional-theory and coupled-cluster frequency-dependent polarizabilities and hyperpolarizabilities
P Salek et al.
MOLECULAR PHYSICS (2005)
A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
T Yanai et al.
CHEMICAL PHYSICS LETTERS (2004)
Interaction induced (hyper)polarizability in Ne ••• Ar
G Maroulis et al.
CHEMICAL PHYSICS LETTERS (2002)
A long-range correction scheme for generalized-gradient-approximation exchange functionals
H Iikura et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Performance of the 'parameter free' PBE0 functional for the modeling of molecular properties of heavy metals
V Vetere et al.
CHEMICAL PHYSICS LETTERS (2000)
Assessment of conventional density functional schemes for computing the dipole moment and (hyper)polarizabilities of push-pull π-conjugated systems
B Champagne et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)
Share Paper
