Study of syntheses and specific rotations of (S)-3-phenylhexan-3-ol and its derivatives

Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules

Benedetta Mennucci, J. Tomasi, Roberto Cammi et al. · The Journal of Physical Chemistry A · 2002 · 739 citations

Engineering, Organic Chemistry, Computational Chemistry +17

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methyl-morpholinium chloride: an efficient condensing agent leading to the formation of amides and esters

Munetaka Kunishima, Chiho Kawachi, Jun Monta et al. · Tetrahedron · 1999 · 469 citations

Engineering, Organic Chemistry, Synthetic Chemistry +5

Ab initio calculation of molecular chiroptical properties

T. Daniel Crawford · Theoretical Chemistry Accounts · 2005 · 400 citations

Physics, Natural Sciences, Molecular Chiroptical Properties +4

Calculation of Optical Rotation Using Density Functional Theory

Philip J. Stephens, F. J. Devlin, James R. Cheeseman et al. · The Journal of Physical Chemistry A · 2001 · 376 citations

Engineering, Physics, Optical Properties +14

Hartree−Fock and Density Functional Theory ab Initio Calculation of Optical Rotation Using GIAOs:  Basis Set Dependence

James R. Cheeseman, Michael J. Frisch, F. J. Devlin et al. · The Journal of Physical Chemistry A · 2000 · 285 citations

Spectroscopic Property, Engineering, Physics +15