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Journal Abstract Search
162 related items for PubMed ID: 15303909
21. On the nature of the Møller-Plesset critical point. Sergeev AV, Goodson DZ, Wheeler SE, Allen WD. J Chem Phys; 2005 Aug 08; 123(6):64105. PubMed ID: 16122298 [Abstract] [Full Text] [Related]
22. Molecule intrinsic minimal basis sets. I. Exact resolution of ab initio optimized molecular orbitals in terms of deformed atomic minimal-basis orbitals. Lu WC, Wang CZ, Schmidt MW, Bytautas L, Ho KM, Ruedenberg K. J Chem Phys; 2004 Feb 08; 120(6):2629-37. PubMed ID: 15268406 [Abstract] [Full Text] [Related]
26. Interaction between benzenedithiolate and gold: classical force field for chemical bonding. Leng Y, Krstić PS, Wells JC, Cummings PT, Dean DJ. J Chem Phys; 2005 Jun 22; 122(24):244721. PubMed ID: 16035807 [Abstract] [Full Text] [Related]
33. Analysis of nuclear quantum effects on hydrogen bonding. Swalina C, Wang Q, Chakraborty A, Hammes-Schiffer S. J Phys Chem A; 2007 Mar 22; 111(11):2206-12. PubMed ID: 17388289 [Abstract] [Full Text] [Related]
38. Impact of nuclear quantum effects on the molecular structure of bihalides and the hydrogen fluoride dimer. Swalina C, Hammes-Schiffer S. J Phys Chem A; 2005 Nov 17; 109(45):10410-7. PubMed ID: 16833338 [Abstract] [Full Text] [Related]
40. Predicting shielding constants in solution using gauge invariant atomic orbital theory and the effective fragment potential method. Freitag MA, Hillman B, Agrawal A, Gordon MS. J Chem Phys; 2004 Jan 15; 120(3):1197-202. PubMed ID: 15268243 [Abstract] [Full Text] [Related] Page: [Previous] [Next] [New Search]