共 50 条
- [1] A comparison between the NEMO intermolecular water potential and ab initio quantum chemical calculations for the water trimer and tetramerMOLECULAR PHYSICS, 1997, 90 (02) : 277 - 287Engkvist, OForsberg, NSchutz, MKarlstrom, G
- [2] Torsional eigenvalues of the water trimer on several ab initio potential surfacesINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1998, 68 (04) : 233 - 252Guiang, CSWyatt, RE
- [3] Ab initio calculations on π-stacked thiophene dimer, trimer, and tetramer:: Structure, interaction energy, cooperative effects, and intermolecular electronic parametersJOURNAL OF COMPUTATIONAL CHEMISTRY, 2008, 29 (01) : 69 - 78Rodriguez-Ropero, FranciscoCasanovas, JordiAleman, Carlos
- [4] MULTIMODE quantum calculations of intramolecular vibrational energies of the water dimer and trimer using ab initio-based potential energy surfacesJOURNAL OF CHEMICAL PHYSICS, 2008, 128 (07):Wang, YiminCarter, StuartBraams, Bastiaan J.Bowman, Joel M.
- [5] An ab initio derived torsional potential energy surface for the cyclic water tetramerJOURNAL OF CHEMICAL PHYSICS, 1998, 109 (13): : 5393 - 5403Graf, SLeutwyler, S
- [6] Intermolecular potential for acetonitrile based on ab initio calculationsMOLECULAR PHYSICS, 1999, 96 (03) : 309 - 321Cabaleiro-Lago, EMRíos, MA
- [7] Ab initio study of the intermolecular interactions in small benzene clusters: The equilibrium structures of trimer, tetramer, and pentamerJOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (10): : 1904 - 1908Gonzalez, CLim, EC
- [8] AN INTERACTION POTENTIAL BETWEEN WATER AND ZWITTERIONS OF ALANINE AND VALINE BASED ON ab initio CALCULATIONSChinese Science Bulletin, 1991, (14) : 1202 - 1205凌伦奖倪向善石秀凡王化军陈润生
- [10] Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experimentJOURNAL OF CHEMICAL PHYSICS, 2015, 142 (19):Liu, HanchaoWang, YiminBowman, Joel M.
