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Quantum vibrational dynamics
References :
- F. Calvo, C. Falvo, and P. Parneix. Atomistic modeling of vibrational action spectra in polyatomic molecules : Nuclear quantum effects. J. Phys. Chem. A, 118 (2014) 5427–5436. Link
- F. Calvo, C. Falvo, and P. Parneix. A simple but accurate potential for the naphthalene-argon complex : Applications to collisional energy transfer and matrix isolated ir spectroscopy. J. Chem. Phys., 138 (2013) 034305. Link
- N.-T. Van-Oanh, C. Falvo, F. Calvo, D. Lauvergnat, M. Basire, M.-P. Gaigeot, and P. Parneix. Improving anharmonic infrared spectra using semiclassically prepared molecular dynamics simulations. Phys. Chem. Chem. Phys., 14 (2012) 2381–2390. Link
- F. Calvo, N.-T. Van-Oanh, P. Parneix, and C. Falvo. Vibrational spectra of polyatomic molecules assisted by quantum thermal baths. Phys. Chem. Chem. Phys., 14 (2012) 10503–10506. Link