Festschrift in honour of A. Rizzo

ISSN: 1432-881X (Print) 1432-2234 (Online)

In this topical collection (15 articles)

  1. No Access

    Regular Article

    Field-independent current strength

    Guglielmo Monaco, Riccardo Zanasi Article:103

  2. No Access

    Regular Article

    A computational study of the effect of ionic liquid anions on Reichardt’s dye solvatochromism

    Christian Silvio Pomelli, Cinzia Chiappe Article:95

  3. No Access

    Regular Article

    A polarizable QM/MM description of environment effects on NMR shieldings: from solvated molecules to pigment–protein complexes

    Stefano Caprasecca, Lorenzo Cupellini, Sandro Jurinovich… Article:84

  4. No Access

    Regular Article

    On the nature of charge-transfer excitations for molecules in aqueous solution: a polarizable QM/MM study

    Franco Egidi, Giulia Lo Gerfo, Marina Macchiagodena… Article:82

  5. No Access

    Regular Article

    Developing accurate intramolecular force fields for conjugated systems through explicit coupling terms

    Javier Cerezo, Giacomo Prampolini, Ivo Cacelli Article:80

  6. No Access

    Regular Article

    A polarizable embedding approach to second harmonic generation (SHG) of molecular systems in aqueous solutions

    Tommaso Giovannini, Matteo Ambrosetti, Chiara Cappelli Article:74

  7. No Access

    Regular Article

    Theoretical spectroscopy of a NIR-absorbing benziphthalocyanine dye

    Pauline M. Verite, Cloé Azarias, Denis Jacquemin Article:61

  8. No Access

    Regular Article

    Coupled cluster evaluation of the second and third harmonic scattering responses of small molecules

    Pierre Beaujean, Benoît Champagne Article:50

  9. No Access

    Regular Article

    Modeling magnetic circular dichroism within the polarizable embedding approach

    Morten Steen Nørby, Sonia Coriani, Jacob Kongsted Article:49

  10. No Access

    Regular Article

    The highly excited-state manifold of guanine: calibration for nonlinear electronic spectroscopy simulations

    Javier Segarra-Martí, Ana J. Pepino, Artur Nenov… Article:47

  11. No Access

    Regular Article

    Theoretical calculation of NMR shifts in newly developed antibacterial 4-formylbenzoic acid-based thiazoles

    Angelika Baranowska-Łączkowska, Marta Kozak… Article:46

  12. Regular Article

    Spin–spin coupling constants in \(\hbox {HC}{\equiv }\hbox {CXH}_3\) molecules; \(\hbox {X}{=}\hbox {C}\) , Si, Ge, Sn and Pb

    Katarzyna Jakubowska, Magdalena Pecul, Michał Jaszuński Article:41
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  13. No Access

    Regular Article

    Comparison of the results of a mean-field mixed quantum/classical method with full quantum predictions for nonadiabatic dynamics: application to the \(\pi \pi ^*/n\pi ^*\) decay of thymine

    Yanli Liu, Javier Cerezo, Na Lin, Xian Zhao… Article:40

  14. No Access

    Regular Article

    The optical properties of adenine cation in different oligonucleotides: a PCM/TD-DFT study

    Lara Martinez-Fernandez, Aurora Muñoz-Losa… Article:39

  15. No Access

    Regular Article

    On the convergence of the ccJ-pVXZ and pcJ-n basis sets in CCSD calculations of nuclear spin–spin coupling constants: some difficult cases

    Rasmus Faber, Stephan P. A. Sauer Article:35