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Hydrogen bonding basis set effects

Table A5-58 Basis Set Effects on Bond Lengths in Hydrogen Bonded Complexes. [Pg.621]

S. Kawahara et al., Electron correlation and basis set effects on strong hydrogen bond behaviour a case study on the hydrogen difluoride anion. Chem. Phys. 273, 207-216 (2001)... [Pg.386]

Keywords Hydrogen bond calculation methods calculation strategies basis set effect anhar-... [Pg.51]

Basis set effect on hydrogen bond stabilization energy estimation of the Watson-Crick type nucleic acid base pairs using medium-size basis sets single point MP2... [Pg.362]

C. S. Callam, S. J. Singer, T. F. Fowary, and C. M. Hadad, Computational analysis of the potential energy surfaces of glycerol in the gas and aqueous phases Effects of level of theory, basis set, and solvation on strongly intramolecularly hydrogen bonded systems. J. Am. Chem. Soc. 123, 11743 11754 (2001). [Pg.57]

See other pages where Hydrogen bonding basis set effects is mentioned: [Pg.157] [Pg.172] [Pg.137] [Pg.29] [Pg.32] [Pg.70] [Pg.70] [Pg.121] [Pg.10] [Pg.146] [Pg.351] [Pg.172] [Pg.63] [Pg.226] [Pg.518] [Pg.136] [Pg.132] [Pg.1276] [Pg.94] [Pg.66] [Pg.386] [Pg.143] [Pg.143] [Pg.57] [Pg.37] [Pg.136] [Pg.183] [Pg.232] [Pg.249] [Pg.249] [Pg.364] [Pg.26] [Pg.263] [Pg.344] [Pg.35] [Pg.21] [Pg.294] [Pg.103] [Pg.104] [Pg.386] [Pg.523]

See also in sourсe #XX -- [ Pg.2 , Pg.1277 ]

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Basis set effects

Bond-set

Hydrogen bonding effect