Related references
Note: Only part of the references are listed.Optical rotatory dispersion of 2,3-hexadiene and 2,3-pentadiene
Kenneth B. Wiberg et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
The current state of ab initio calculations of optical rotation and electronic circular dichroism spectra
T. Daniel Crawford et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Chiroptical Properties of (R)-3-Chloro-l-butene and (R)-2-Chlorobutane
Mary C. Tam et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
PS13:: An open-source ab initio electronic structure package
T. Daniel Crawford et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
Coupled-cluster theory in quantum chemistry
Rodney J. Bartlett et al.
REVIEWS OF MODERN PHYSICS (2007)
The problematic case of (S)-methylthiirane: electronic circular dichroism spectra and optical rotatory dispersion
T. Daniel Crawford et al.
MOLECULAR PHYSICS (2007)
Contiribution of a solute's chiral solvent imprint to optical rotation
Parag Mukhopadhyay et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)
Renaissance in chiroptical spectroscopic methods for molecular structure determination
Prasad L. Polavarapu
CHEMICAL RECORD (2007)
Determination of the absolute configurations of natural products via density functional theory calculations of optical rotation, electronic circular dichroism, and vibrational circular dichroism: The cytotoxic sesquiterpene natural products quadrone, suberosenone, suberosanone, and suberosenol A acetate
P. J. Stephens et al.
JOURNAL OF NATURAL PRODUCTS (2006)
Adiabatic approximations to internal rotation
Wesley D. Allen et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Ab initio calculation of molecular chiroptical properties
TD Crawford
THEORETICAL CHEMISTRY ACCOUNTS (2006)
Time-dependent density functional calculations of optical rotatory dispersion including resonance wavelengths as a potentially useful tool for determining absolute configurations of chiral molecules
J Autschbach et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Ab initio determination of optical rotatory dispersion in the conformationally flexible molecule (R)-epichlorohydrin
MC Tam et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Nonresonant optical activity of isolated organic molecules
SM Wilson et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Magnitude of zero-point vibrational corrections to optical rotation in rigid organic molecules: A time-dependent density functional study
BC Mort et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Conformational effects on optical rotation. 2-substituted butanes
KB Wiberg et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Determination of absolute configurations of chiral molecules using ab initio time-dependent density functional theory calculations of optical rotation: How reliable are absolute configurations obtained for molecules with small rotations?
PJ Stephens et al.
CHIRALITY (2005)
The importance of molecular vibrations: The sign change of the optical rotation of methyloxirane
K Ruud et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)
Density-functional theory calculations of optical rotatory dispersion in the nonresonant and resonant frequency regions
P Norman et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Optical activity of 1-butene, butane, and related hydrocarbons
KB Wiberg et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Origin invariant calculation of optical rotation without recourse to London orbitals
TB Pedersen et al.
CHEMICAL PHYSICS LETTERS (2004)
Determination of the absolute configuration of [32](1,4) barrelenophanedicarbonitrile using concerted time-dependent density functional theory calculations of optical rotation and electronic circular dichroism
PJ Stephens et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
A priori calculation of molecular properties to chemical accuracy
T Helgaker et al.
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2004)
Coupled-cluster calculations of optical rotation
K Ruud et al.
CHEMICAL PHYSICS LETTERS (2003)
Conformational effects on optical rotation. 3-substituted 1-butenes
KB Wiberg et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Determination of absolute configuration using optical rotation calculated using density functional theory
PJ Stephens et al.
ORGANIC LETTERS (2002)
Zero-point vibrational effects on optical rotation
K Ruud et al.
CHEMICAL PHYSICS LETTERS (2001)
Hartree-Fock and density functional theory ab initio calculation of optical rotation using GIAOs: Basis set dependence
JR Cheeseman et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)