검색결과 : 20건
| No. | Article |
|---|---|
| 1 |
Calculation of Raman Optical Activity Spectra of Methyl-beta-D-Glucose Incorporating a Full Molecular Dynamics Simulation of Hydration Effects Cheeseman JR, Shaik MS, Popelier PLA, Blanch EW Journal of the American Chemical Society, 133(13), 4991, 2011 |
| 2 |
Optical rotatory dispersion of 2,3-hexadiene and 2,3-pentadiene Wiberg KB, Wang YG, Wilson SM, Vaccaro PH, Jorgensen WL, Crawford TD, Abrams ML, Cheeseman JR, Luderer M Journal of Physical Chemistry A, 112(11), 2415, 2008 |
| 3 |
Sum-over-states calculation of the specific rotations of some substituted oxiranes, chloropropionitrile, ethane, and norbornenone Wiberg KB, Wang YG, Wilson SM, Vaccaro PH, Cheeseman JR Journal of Physical Chemistry A, 110(51), 13995, 2006 |
| 4 |
Conformational effects on optical rotation. 2-substituted butanes Wiberg KB, Wang YG, Vaccaro PH, Cheeseman JR, Luderer MR Journal of Physical Chemistry A, 109(15), 3405, 2005 |
| 5 |
Chiroptical properties of 2-chloropropionitrile Wiberg KB, Wang YG, Wilson SM, Vaccaro PH, Cheeseman JR Journal of Physical Chemistry A, 109(15), 3448, 2005 |
| 6 |
Nonresonant optical activity of isolated organic molecules Wilson SM, Wiberg KB, Cheeseman JR, Frisch MJ, Vaccaro PH Journal of Physical Chemistry A, 109(51), 11752, 2005 |
| 7 |
Optical activity of 1-butene, butane, and related hydrocarbons Wiberg KB, Wang YG, Vaccaro PH, Cheeseman JR, Trucks G, Frisch MJ Journal of Physical Chemistry A, 108(1), 32, 2004 |
| 8 |
Determination of the absolute configuration of [3(2)](1,4) barrelenophanedicarbonitrile using concerted time-dependent density functional theory calculations of optical rotation and electronic circular dichroism Stephens PJ, McCann DM, Devlin FJ, Cheeseman JR, Frisch MJ Journal of the American Chemical Society, 126(24), 7514, 2004 |
| 9 |
Coupled-cluster calculations of optical rotation Ruud K, Stephens PJ, Devlin FJ, Taylor PR, Cheeseman JR, Frisch MJ Chemical Physics Letters, 373(5-6), 606, 2003 |
| 10 |
Basis set dependence of NMR spin-spin couplings in density functional theory calculations: first row and hydrogen atoms Peralta JE, Scuseria GE, Cheeseman JR, Frisch MJ Chemical Physics Letters, 375(5-6), 452, 2003 |