Visualitzant per autor "Bearpark, Michael J."
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The curvature of the conical intersection seam: an approximate second-order analysis

Automatic generation of active coordinates for quantum dynamics calculations: application to the dynamics of benzene photochemistry

New algorithms for optimizing and linking conical intersection points

A global picture of the S1/S0 conical intersection seam of benzene

The response of the electronic structure to electronic excitation and double bond torsion in fulvene: A combined QTAIM, stress tensor and MO perspective