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On the applicability of a wavefunction-free, energy-based procedure for generating first-order non-adiabatic couplings around conical intersections.Fast and slow excited-state intramolecular proton transfer in 3-hydroxychromone: a two-state story?The effect of the condensed-phase environment on the vibrational frequency shift of a hydrogen molecule inside clathrate hydrates.Does cage quantum delocalisation influence the translation–rotational bound states of molecular hydrogen in clathrate hydrate?H2, HD, and D2 in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstatesIntramolecular stretching vibrational states and frequency shifts of (H2)2 confined inside the large cage of clathrate hydrate from an eight-dimensional quantum treatment using small basis setsA generalized vibronic-coupling Hamiltonian for molecules without symmetry: Application to the photoisomerization of benzopyranFirst-principles description of intra-chain exciton migration in an oligo(para-phenylene vinylene) chain. I. Generalized Frenkel-Holstein Hamiltonian
P50
Q48053332-412ED80E-163F-4275-AFC1-4322DC6A95FBQ48231468-3AF4F5C8-8F03-4B7C-9CE5-8F5D34D0FC32Q52321494-BEBD23F3-503C-4C7A-9E74-882C78009EA7Q62563490-230324C3-1C31-4F2F-864E-A521C55ABA91Q90035414-B5112BD9-A72C-44FF-87EC-52A04E535E1EQ90420544-DDB7CEFE-4F21-4399-A3CD-C8EA966DDC87Q92714860-B3BA4743-ECD3-47E9-8FF6-9C1675FE3EA9Q96119468-26A39517-2D88-4CD7-8765-5F5161AD9ACD
P50
description
researcher
@en
name
David Lauvergnat
@en
type
label
David Lauvergnat
@en
prefLabel
David Lauvergnat
@en
P31
P496
0000-0002-8258-3531