A. Biancardi

发表

How the Number of Layers and Relative Position Modulate the Interlayer Electron Transfer in π-Stacked 2D Materials.

W. Chan, M. Caricato, A. Biancardi, 2017, The journal of physical chemistry letters.

Point charge embedding for ONIOM excited states calculations.

M. Caricato, A. Biancardi, J. Barnes, 2016, The Journal of chemical physics.

Correlation of Active Site Precursors and Olefin Metathesis Activity in W-Incorporated Silicates

A. Ramanathan, Yongfeng Hu, B. Subramaniam, 2018, ACS Catalysis.

What is solvatochromism?

Benedetta Mennucci, Alberto Marini, B. Mennucci, 2010, The journal of physical chemistry. B.

A theoretical and experimental investigation of the spectroscopic properties of a DNA-intercalator salphen-type Zn(II) complex.

B. Mennucci, G. Barone, A. Biancardi, 2014, Chemistry.

Mechanistic aspects of thioflavin-T self-aggregation and DNA binding: evidence for dimer attack on DNA grooves.

A. Biancardi, M. Mattonai, T. Biver, 2014, Physical chemistry chemical physics : PCCP.

Thiazole orange (TO) as a light-switch probe: a combined quantum-mechanical and spectroscopic study.

Benedetta Mennucci, Tarita Biver, Alberto Marini, 2011, Physical chemistry chemical physics : PCCP.

Polarity-sensitive fluorescent probes in lipid bilayers: bridging spectroscopic behavior and microenvironment properties.

Benedetta Mennucci, Alberto Marini, B. Mennucci, 2011, The journal of physical chemistry. B.

Simulations of Ammonia Adsorption for the Characterization of Acid Sites in Metal-Doped Amorphous Silicates

M. Caricato, A. Biancardi, Amy M. Jystad, 2017 .

Electronic Coupling for Donor-Bridge-Acceptor Systems with a Bridge-Overlap Approach.

M. Caricato, A. Biancardi, Cameron J Liss, 2017, Journal of chemical theory and computation.

Catalytic N−H Bond Activation and Breaking by a Well‐Defined CoII1O4 Site of a Heterogeneous Catalyst

D. Blom, M. Fathizadeh, Miao Yu, 2018 .

Evaluation of Electronic Coupling in Solids from Ab Initio Periodic Boundary Condition Calculations: The Case of Pentacene Crystal and Bilayer Graphene

M. Caricato, A. Biancardi, 2016 .

Plasmon-controlled light-harvesting: design rules for biohybrid devices via multiscale modeling.

Benedetta Mennucci, Oliviero Andreussi, Stefano Corni, 2013, Nano letters.

Accurate and inexpensive prediction of the color optical properties of anthocyanins in solution.

I. Timrov, S. Baroni, A. Calzolari, 2015, The journal of physical chemistry. A.

Self-consistent continuum solvation for optical absorption of complex molecular systems in solution.

Nicola Marzari, Oliviero Andreussi, Stefano Baroni, 2015, The Journal of chemical physics.

Toward a Quantum-Mechanical Description of 2D-IR Spectra of Solvated Systems: The Vibrational Mode Coupling within A Polarizable Continuum Model

B. Mennucci, R. Cammi, C. Cappelli, 2010 .

Modelling vibrational coupling in DNA oligomers: a computational strategy combining QM and continuum solvation models

J. Tomasi, B. Mennucci, R. Cammi, 2012, Theoretical Chemistry Accounts.

Fluorescent dyes in the context of DNA-binding: The case of Thioflavin T

B. Mennucci, A. Biancardi, T. Biver, 2017 .

What is solvatochromism?

B. Mennucci, A. Muñoz-Losa, A. Biancardi, 2010, The journal of physical chemistry. B.

An investigation of the photophysical properties of minor groove bound and intercalated DAPI through quantum-mechanical and spectroscopic tools.

Benedetta Mennucci, Tarita Biver, B. Mennucci, 2013, Physical chemistry chemical physics : PCCP.