A bond-origin-independent formulation of the bond dipole model of vibrational circular dichroism (original) (raw)

Journal of The American Chemical Society, 1982

GUI Implementation of VCDtools, A Program to Analyze Computed Vibrational Circular Dichroism Spectra

Journal of Chemical Information and Modeling, 2019

Some aspects of vibronic coupling in circular dichroism

edith Ong

Tetrahedron, 1974

Vibrational Circular Dichroism

Rina Dukor

Annual Review of Physical Chemistry, 1985

Effects of Complex Formation on Vibrational Circular Dichroism Spectra

Evert Baerends

The Journal of Physical Chemistry A, 2008

Vibrational circular dichroism: effect of charge fluxes and bond currents

Arthur Gohin

The Journal of Physical Chemistry, 1982

Ational Heterogeneity in and with Vibrational Circular Dichroism Spectroscopy †

2019

Bioinspired interactions studied by vibrational circular dichroism

Marie Urbanova

Chirality, 2009

Taming conformational heterogeneity in and with Vibrational Circular Dichroism spectroscopy

Chemical Science

Use of Density Functional Based Tight Binding Methods in Vibrational Circular Dichroism

Journal of Physical Chemistry A, 2018

Vibrational circular dichroism in amino acids and peptides. 7. Amide stretching vibrations in polypeptides

Biopolymers, 1982

Theoretical study of the vibrational circular dichroism of 1, 3-dideuterioallene: comparison of methods

T. Keiderling

1990

Evaluation of Molecular Polarizability and of Intensity Carrying Modes Contributions in Circular Dichroism Spectroscopies

Applied Sciences

Ring current mechanism of vibrational circular dichroism

The Journal of Physical Chemistry, 1986

Quantitative analysis of vibrational circular dichroism spectra of proteins. Problems and perspectives

T. Keiderling, Petr Pancoska

Faraday Discussions, 1994

The use of Coulomb-attenuated methods for the calculation of electronic circular dichroism spectra

Kenneth Ruud

Chemical Physics, 2008

Theoretical and experimental studies for the interpretation of vibrational circular dichroism spectra in the CH‐stretching overtone region

Chirality, 2000

Analysis of Vibrational Circular Dichroism Spectra of Peptides: A Generalized Coupled Oscillator Approach of a Small Peptide Model Using VCDtools

Journal of Physical Chemistry B, 2020

Structure analysis of proteins, peptides and metal complexes by vibrational circular dichroism

Andreja Jakas

ARKIVOC: archive for organic chemistry

Toward Ab Initio Anharmonic Vibrational Circular Dichroism Spectra in the Condensed Phase

Filippo Lipparini

Journal of Chemical Theory and Computation

Instrumentation for Vibrational Circular Dichroism Spectroscopy: Method Comparison and Newer Developments

Molecules, 2018

Vibrational circular dichroism in amino acids and peptides. 2. Simple alanyl peptides

Max Diem

J Am Chem Soc, 1978

Error bounds on goodness of fit indicators in vibrational circular dichroism spectroscopy

Guglielmo Monaco

Chemical Physics Letters, 2019

Basis set convergence and correlation effects in vibrational circular dichroism calculations using London atomic orbitals

Trygve Helgaker

1994

Vibrational circular dichroism of methylthiirane

Marian Lowe

The Journal of Physical Chemistry, 1988

NIR-VCD, vibrational circular dichroism in the near-infrared: Experiments, theory and calculations

Chirality, 2009

Ab initio calculation of vibrational circular dichroism spectra using large basis set MP2 force fields

Frank Devlin

Chemical Physics Letters, 1994

The theory of vibrational circular dichroism: trans-1,2-dideuteriocyclobutane and propylene oxide

Marian Lowe

Chemical Physics Letters, 1986

Calculation of electronic circular dichroism spectra by rotating wave approximation

Lars Goerigk

Chemical Physics, 2006

Vibrational Excitons in CH-Stretching Fundamental and Overtone Vibrational Circular Dichroism Spectra

Monatshefte f�r Chemie - Chemical Monthly, 2005

Amplified Vibrational Circular Dichroism as a Probe of Local Biomolecular Structure

Journal of the American Chemical Society, 2014