Results 211 to 220 of about 17,729 (255)

Variational response-function formulation of vibrational circular dichroism

Physical Chemistry Chemical Physics, 2011
The atomic axial tensor (AAT) of vibrational circular dichroism is expressed as the frequency derivative at zero frequency of a linear response function for operators referencing a nuclear displacement and a magnetic field. This is used in the density matrix-based quasienergy derivative Lagrangian approach of Thorvaldsen et al. [J. Chem.
CORIANI, Sonia, Thorvaldsen, Andreas J., Kristensen, Kasper, Jørgensen, Poul   +3 more
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Magnetic vibrational circular dichroism of ammonia

The Journal of Physical Chemistry, 1992
We have measured the magnetic-field-induced circular dichroism of the A 1 symmetry (υ 2 ) and the E symmetry (υ 4 ) deformation modes of the NH 3 and ND 3 . At 0.5 cm -1 resolution, the spectra are partially rotationally resolved; and we can determine the sign and calculate the magnitude for the g factor of the rotational Zeeman effects observed by ...
Baoliang Wang, Paul V. Croatto, Ryong K. Yoo, Timothy A. Keiderling   +3 more
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Vibrational Circular Dichroism Spectroscopy of Chiral Molecules

2010
In this chapter, new developments and main applications of vibrational circular dichroism (VCD) spectroscopy reported in the last 5 years are described. This includes the determinations of absolute configurations of chiral molecules, understanding solvent effects and modeling solvent-solute explicit hydrogen bonding networks using induced solvent ...
Guochun, Yang, Yunjie, Xu
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Magnetic vibrational circular dichroism of C60

Chemical Physics Letters, 1992
The magnetic vibrational circular dichroism spectra of C 60 fullerene in solution are presented for excitation of the 1430 and 1183 cm −l t t1u -symmetry fundamental vibrations. These transitions give rise to A-term MVCD of opposite sign ( A 1 / D 0 =−3.8 and l.1 × 10 −4 , respectively) which are similar in magnitude to that of benzene.
Cheok N. Tam, Baoliang Wang, Timothy A. Keiderling, William G. Golden   +3 more
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Vibrational Circular Dichroism

Annual Review of Physical Chemistry, 1985
P J Stephens, M A Lowe
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Vibrational circular dichroism

Journal of the American Chemical Society, 1976
L. A. Nafie, T. A. Keiderling, P. J. Stephens   +2 more
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Vibrational Circular Dichroism of Ligand Vibrations in Hemeprotein

1995
The distal amino acid residues in myoglobin (Mb) and hemoglobin (Hb) are elaborately designed to control the chemical reactions of ligands to the heme iron. Many techniques have been applied to elucidate the reaction mechanism of ligand binding in heme pockets.
J. Teraoka, N. Yamamoto, Y. Matsumoto, Y. Kyogoku, H. Sugeta   +4 more
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Vibrational Circular Dichroism: The Experimental Viewpoint

1979
Chirality in molecular structure manifests itself in the optical phenomena collectively referred to as optical activity, the common feature of which is the di fferenti ati on in behavior of left and right circularly polarized light. In turn, optical activity can be used to probe molecular chirality.
P. J. Stephens, R. Clark
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Vibrational circular dichroism of A2B2 molecules

The Journal of Chemical Physics, 1986
A2B2 molecules of C2 symmetry are considered to investigate the relation of vibrational absorption and circular dichroism (VCD) to the molecular chirality. Symmetry arguments and Sayvetz conditions are used to derive the Cartesian displacements for symmetric and antisymmetric stretching vibrations.
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Bioplastics for a circular economy

Nature Reviews Materials, 2022
Jan-Georg Rosenboom, Robert Samuel Langer Jr, Giovanni Traverso   +2 more
exaly