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Absolute configuration of the antimalarial erythro-mefloquine : vibrational circular dichroism and X-ray diffraction studies of mefloquine and its thiourea derivative
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Statistical validation of absolute configuration assignment in vibrational optical activity
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Electron momentum spectroscopy of 1-butene : a theoretical analysis using molecular dynamics and molecular quantum similarity
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Performance of DFT methods in momentum space : quantum similarity measures versus moments of momentum
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- PhD Thesis
- open access
Across chiral and achiral worlds : statistical validation in VCD and explorations in momentum space
(2013) -
Scramble test as absolute configuration assignment quality measure in VCD
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VCD: assignment, comparison to other methods and localizing modes
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- Conference Paper
- C3
- open access
Chemical concepts in momentum space
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Momentum space quantum similarity measures versus moments of momentum
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- Conference Paper
- C3
- open access
Performance of DFT methodologies using momentum space quantum similarity on diatomic molecules