权威例句
Density functional calculations of molecular g-tensors in the zero-order regular approximation for relativistic effectsPredictions of the properties of water from first principles.ChemInform Abstract: From Intermolecular Potentials to the Spectra of van der Waals Molecules, and Vice Versa.N2–N2 interaction potential from abinitio calculations, with application to the structure of (N2)2Erratum: Quantum dynamics of the van der Waals molecule (N2)2: An abinitio treatment [J. Chem. Phys. 77, 5664 (1982)]Water pair potential of near spectroscopic accuracy. I. Analysis of potential surface and virial coefficientsQuantum dynamics of the van der Waals molecule (N2)2: An ab initio treatmentWater pair potential of near spectroscopic accuracy. II. Vibration–rotation–tunneling levels of the water dimerIntermolecular potential and rovibrational levels of Ar–HF from symmetry‐adapted perturbation theoryQuantum dynamics of non-rigid systems comprising two polyatomic fragments