What is solvatochromism? A Marini, A Munoz-Losa, A Biancardi, B Mennucci The Journal of Physical Chemistry B 114 (51), 17128-17135, 2010 | 514 | 2010 |
Polarity-Sensitive Fluorescent Probes in Lipid Bilayers: Bridging Spectroscopic Behavior and Microenvironment Properties G Parisio, A Marini, A Biancardi, A Ferrarini, B Mennucci The Journal of Physical Chemistry B 115 (33), 9980-9989, 2011 | 64 | 2011 |
An investigation of the photophysical properties of minor groove bound and intercalated DAPI through quantum-mechanical and spectroscopic tools A Biancardi, T Biver, F Secco, B Mennucci Physical Chemistry Chemical Physics 15 (13), 4596-4603, 2013 | 61 | 2013 |
Accurate and inexpensive prediction of the color optical properties of anthocyanins in solution X Ge, I Timrov, S Binnie, A Biancardi, A Calzolari, S Baroni The Journal of Physical Chemistry A 119 (16), 3816-3822, 2015 | 54 | 2015 |
Thiazole orange (TO) as a light-switch probe: a combined quantum-mechanical and spectroscopic study A Biancardi, T Biver, A Marini, B Mennucci, F Secco Physical Chemistry Chemical Physics 13 (27), 12595-12602, 2011 | 54 | 2011 |
Mechanistic aspects of thioflavin-T self-aggregation and DNA binding: evidence for dimer attack on DNA grooves A Biancardi, T Biver, A Burgalassi, M Mattonai, F Secco, M Venturini Physical Chemistry Chemical Physics 16 (37), 20061-20072, 2014 | 51 | 2014 |
Plasmon-controlled light-harvesting: design rules for biohybrid devices via multiscale modeling O Andreussi, A Biancardi, S Corni, B Mennucci Nano letters 13 (9), 4475-4484, 2013 | 43 | 2013 |
Simulations of Ammonia Adsorption for the Characterization of Acid Sites in Metal-Doped Amorphous Silicates AM Jystad, A Biancardi, M Caricato The Journal of Physical Chemistry C 121 (40), 22258-22267, 2017 | 27 | 2017 |
A Theoretical and Experimental Investigation of the Spectroscopic Properties of a DNA‐Intercalator Salphen‐Type ZnII Complex A Biancardi, A Burgalassi, A Terenzi, A Spinello, G Barone, T Biver, ... Chemistry–A European Journal 20 (24), 7439-7447, 2014 | 27 | 2014 |
Self-consistent continuum solvation for optical absorption of complex molecular systems in solution I Timrov, O Andreussi, A Biancardi, N Marzari, S Baroni The Journal of chemical physics 142 (3), 034111, 2015 | 24 | 2015 |
Correlation Of Active Site Precursors And Olefin Metathesis Activity In W-Incorporated Silicates JF Wu, A Ramanathan, A Biancardi, AM Jystad, M Caricato, Y Hu, ... ACS Catalysis 8 (11), 10437-10445, 2018 | 20 | 2018 |
Fluorescent dyes in the context of DNA‐binding: The case of Thioflavin T A Biancardi, T Biver, B Mennucci International Journal of Quantum Chemistry 117 (8), e25349, 2017 | 18 | 2017 |
Point charge embedding for ONIOM excited states calculations A Biancardi, J Barnes, M Caricato The Journal of Chemical Physics 145 (22), 224109, 2016 | 16 | 2016 |
Modelling vibrational coupling in DNA oligomers: a computational strategy combining QM and continuum solvation models A Biancardi, R Cammi, C Cappelli, B Mennucci, J Tomasi Theoretical Chemistry Accounts 131 (3), 1157, 2012 | 16 | 2012 |
Catalytic N−H Bond Activation and Breaking by a Well‐Defined CoII1O4 Site of a Heterogeneous Catalyst K Khivantsev, A Biancardi, M Fathizadeh, F Almalki, JL Grant, HN Tien, ... ChemCatChem 10 (4), 736-742, 2018 | 12 | 2018 |
Evaluation of Electronic Coupling in Solids from Ab Initio Periodic Boundary Condition Calculations: The Case of Pentacene Crystal and Bilayer Graphene A Biancardi, M Caricato The Journal of Physical Chemistry C 120 (32), 17939-17948, 2016 | 11 | 2016 |
A Benchmark Study of Electronic Couplings in Donor–Bridge–Acceptor Systems with the FMR-B Method A Biancardi, M Caricato Journal of chemical theory and computation 14 (4), 2007-2016, 2018 | 7 | 2018 |
Electronic Coupling for Donor-Bridge-Acceptor Systems with a Bridge-Overlap Approach A Biancardi, SC Martin, C Liss, M Caricato Journal of chemical theory and computation 13 (9), 4154-4161, 2017 | 7 | 2017 |
How the number of layers and relative position modulate the interlayer electron transfer in π-stacked 2D materials A Biancardi, C Caraiani, WL Chan, M Caricato The Journal of Physical Chemistry Letters 8 (7), 1365-1370, 2017 | 7 | 2017 |
Toward a Quantum-Mechanical Description of 2D-IR Spectra of Solvated Systems: The Vibrational Mode Coupling within A Polarizable Continuum Model A Biancardi, C Cappelli, B Mennucci, R Cammi The Journal of Physical Chemistry B 114 (14), 4924-4930, 2010 | 7 | 2010 |