Elaboration of quantum chemistry methods for predicting and interpreting vibrational Raman optical activity: applications to helical structures

Related content

• Research Output

• Rototranslational sum rules for electromagnetic hypershielding at the nuclei and related atomic Cartesian derivatives of the optical rotatory power

  Research output: Contribution to journal › Article › peer-review

• TDHF evaluation of the dipole-quadrupole polarizability and its geometrical derivatives

  Research output: Contribution to journal › Article › peer-review

• Theoretical determination of the vibrational raman optical activity signatures of helical polypropylene chains

  Research output: Contribution to journal › Article › peer-review

• An analytical derivative procedure for the calculation of vibrational Raman optical activity spectra

  Research output: Contribution to journal › Article › peer-review

• Vibrational Raman optical activity as a mean for revealing the helicity of oligosilanes: A quantum chemical investigation

  Research output: Contribution to journal › Article › peer-review

• Analysis of the VROA signals of helical heptasilanes using an atomistic approach

  Research output: Contribution to journal › Article › peer-review

• Vibrational raman optical activity of π-conjugated helical systems: Hexahelicene and heterohelicenes

  Research output: Contribution to journal › Article › peer-review

• Basis set and density functional dependence of vibrational Raman optical activity calculations

  Research output: Contribution to journal › Article › peer-review

• Investigation of polyethylene helical conformations: Theoretical study by vibrational Raman optical activity

  Research output: Contribution to journal › Article › peer-review