Circular dichroism can be directly computed from molecular structure using quantum chemical methods
the verdict
SUPPORTED
the evidence backs this
confidence 83/100
Circular dichroism can be directly computed from molecular structure using quantum chemical and first-principles methods.
Evidence for · 4
Hierarchy of stochastic Schrödinger equation towards the calculation of absorption and circular dichroism spectra
2017 · cited by 18
Paper 1 presents a theoretically solid quantum-based method for directly calculating circular dichroism spectra from molecular parameters and dynamics.
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More for · 3
Calculation of the circular dichroism spectra of carbon monoxy- and deoxy myoglobin: Interpretation of a time-resolved circular dichroism experiment
2005 · cited by 15
Paper 2 demonstrates the direct calculation of circular dichroism spectra from molecular structures of proteins such as myoglobin.
On the calculation of circular dichroism spectra using quantum wave-packet dynamics with an application to molecular dimers
2007 · cited by 13
Paper 3 describes the direct calculation of circular dichroism spectra using quantum wave-packet dynamics applied to molecular systems.
Ab Initio Calculations for Circular Dichroism and Synchrotron Radiation Circular Dichroism Spectroscopy of Proteins
2009 · cited by 0
Paper 4 shows that protein circular dichroism can be calculated directly from first principles and molecular structures using ab initio methods.