Services for this record from Sandia Technical Library
Title: Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
Source: Journal of Physical Chemistry [0022-3654] Stephens, P J yr:1994 vol:98 iss:45 pg:11623 -11627
Not available online.
Request through RightFind document delivery
*User ID (e.g., jroppen):
GO
Users interested in this article also expressed an interest in the following:
1. BECKE, Axel D. "DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE." The Journal of chemical physics 98.7 (1993): 5648-5652. Link to SFX for this item
2. Lee, C. "Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density." Physical review. B, Condensed matter 37.2 (1988): 785-789. Link to SFX for this item
3. Lee, C. "Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density." Physical review. B, Condensed matter and materials physics 37.2 (1988): 785-789. Link to SFX for this item
4. Scott, A.P. P. "Harmonic vibrational frequencies: An evaluation of Hartree-Fock, Moller-Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors." The Journal of physical chemistry 100.41 (1996): 16502-16513. Link to SFX for this item
5. BECKE, Axel D. "A NEW MIXING OF HARTREE-FOCK AND LOCAL DENSITY-FUNCTIONAL THEORIES." The Journal of chemical physics 98.2 (1993): 1372-1377. Link to SFX for this item
View More...
View Less...
Select All Clear All
Expand list of advanced services More Options