Title	Publication Date	Language	Citations
ERRATUM	1999/08/10
Three-phase osmotic equilibria using the Gibbs ensemble simulation method	2000/06/20
Pt-Re small cluster interaction with H 2	2000/04/10
Presence of Jahn-Teller distortions in a novel six-coordinate Ag(II) complex: temperature dependent EPR, optical and magnetic susceptibility measurements	2000/12/20
Decomposition of the total energy at the HF-SCF level and at several levels of correlation I. A study of the interaction in clusters of He, Ne and Ar atoms	1996/02/01
The varying nature of fluorine oxygen bonds	1996/12/01	English
Low temperature vibrational relaxation of OD in the A2Σ, state	2001/07/20	English
RESEARCH NOTE: Critical properties of non-spherical molecule fluids from virial expansion	2000/06/10
Transport of rare gases and molecular water in fused silica by molecular dynamics simulation	1998/10/01
Gallium derivatives of tetraborane(10): can bis(digallanyl) isomers exist?	2000/06/10
An integral equation and Monte Carlo study of homo- and hetero nuclear square-well diatomic fluids	2000/12/20
Dispersion coefficients for interactions between two metastable helium-like ions	2000/04/20
Coherent control of nuclear spin isomers of molecules: the role of molecular motion	2002/05/10	English
Test of rate theory transmission coefficient algorithms. An application to ion channels	2000/11/20
Density functional theory calculations of nuclear quadrupole coupling constants with calibrated 17O quadrupole moments	1999/08/10
RESEARCH NOTE The anisotropic virial-biased sampling for Monte Carlo simulations in the isothermal-isobaric ensemble	1999/01/20
A graphical scheme for addressing determinants in large configuration interaction treatments	2000/11/10
RESEARCH NOTE Hydration phenomena and hydrogen bond connectivity in polymeric aqueous solutions	1996/04/01
The low-lying electronic states of ScO 2 and ScO 2 − : a computational study	2023/09/15	English
Quantum effects of hydrogen storage in ϵ and δ semicrystalline phases of syndiotactic polystyrene through adsorption	2023/08/14	English
Research on the influence of single-crystal germanium cutting parameters based on molecular dynamics	2023/08/11	English
Vertex-edge based resolvability parameters of vanadium carbide network with an application	2023/09/27	English
The evolution of the principle of circumscribing	2023/08/17	English
Regime change in the aggregate structures of spherical magnetic Janus particles (quasi-2D Monte Carlo simulations)	2023/08/11	English
Theoretical identification of pyrimidine on Si(100) by means of X-ray photoelectron spectroscopy and near-edge X-ray absorption fine structure spectra	2023/08/30	English
Increasing the cell voltage of a magnesium ion battery with B 24 O 24 anode through encapsulating halides: a DFT study	2023/08/30	English
Approximation of the ground and excited states of atoms and molecules with a single determinant by means of the exact many-particle Hamiltonian	2023/08/30	English
Algebraic approach to various chemical structures with new Banhatti coindices	2023/08/30	English
Sodium 3 s −3 p far wing shapes induced by ground neon atoms	2023/08/30	English
Theoretical study on mechanism of benzene to phenol over VAPO-5 molecular sieve	2023/09/12	English