화학공학소재연구정보센터
검색결과 : 9건
No. Article
1 Ab initio study of hydrogen-bonded complexes of small organic molecules with water
Rablen PR, Lockman JW, Jorgensen WL
Journal of Physical Chemistry A, 102(21), 3782, 1998
2 The Weak Interaction Potential of Ar-H2S
Deoliveira G, Dykstra CE
Journal of Chemical Physics, 106(13), 5316, 1997
3 Theoretical-Analysis of the Packing and Polymorphism of Molecular-Crystals Using Quantum-Mechanical Methods - The Packing of the 2-Hydro Nitronyl Nitroxide
Novoa JJ, Deumal M
Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 305, 143, 1997
4 On the Effectiveness of Monomer-Centered, Dimer-Centered, and Bond-Centered Basis Functions in Calculations of Intermolecular Interaction Energies
Williams HL, Mas EM, Szalewicz K, Jeziorski B
Journal of Chemical Physics, 103(17), 7374, 1995
5 A Mppt2 Investigation of the H2O-Co Dimer - A Test of Geometries, Energetics, and Vibrational-Spectra
Lundell J
Journal of Physical Chemistry, 99(39), 14290, 1995
6 Evaluation of the Density-Functional Approximation on the Computation of Hydrogen-Bond Interactions
Novoa JJ, Sosa C
Journal of Physical Chemistry, 99(43), 15837, 1995
7 Structure and Properties of Benzene-Containing Molecular Clusters - Nonempirical Ab-Initio Calculations and Experiments
Hobza P, Selzle HL, Schlag EW
Chemical Reviews, 94(7), 1767, 1994
8 Perturbation-Theory Approach to Intermolecular Potential-Energy Surfaces of Van-der-Waals Complexes
Jeziorski B, Moszynski R, Szalewicz K
Chemical Reviews, 94(7), 1887, 1994
9 Relativistic Effects in Gold Chemistry .5. Group 11-Dipole Polarizabilities and Weak Bonding in Monocarbonyl Compounds
Schwerdtfeger P, Bowmaker GA
Journal of Chemical Physics, 100(6), 4487, 1994