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S. Monti · SciRah

Researcher profile · Semantic Scholar

S. Monti

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S. Monti — researcher profile on SciRah

h-index: 35
Works: 169
Citations: 4,210

Most-cited papers

Lignin-Supported Heterogeneous Photocatalyst for the Direct Generation of H2O2 from Seawater.
A. Gopakumar, Pengyu Ren, Jian-Hong Chen, B. M. Manzolli Rodrigues +9 more
2022Journal of the American Chemical Society192 citations Open access
Semantic Scholar
An Atomically Dispersed Mn-Photocatalyst for Generating Hydrogen Peroxide from Seawater via the Water Oxidation Reaction (WOR).
Pengyu Ren, T. Zhang, Noopur Jain, H. Ching +13 more
2023Journal of the American Chemical Society178 citations Open access
Semantic Scholar
Exploring the conformational and reactive dynamics of biomolecules in solution using an extended version of the glycine reactive force field.
S. Monti, A. Corozzi, P. Fristrup, Kaushik L Joshi +4 more
2013Physical Chemistry, Chemical Physics - PCCP149 citations Open access
Semantic Scholar
Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data.
V. Barone, I. Cacelli, N. De Mitri, Daniele Licari +2 more
2013Physical Chemistry, Chemical Physics - PCCP95 citations
Semantic Scholar
Absorption and Emission Spectra of a Flexible Dye in Solution: a Computational Time-Dependent Approach
N. De Mitri, S. Monti, G. Prampolini, V. Barone
2013Journal of Chemical Theory and Computation87 citations Open access
Semantic Scholar
Exploration of the Conformational and Reactive Dynamics of Glycine and Diglycine on TiO2: Computational Investigations in the Gas Phase and in Solution
S. Monti, A. V. van Duin, Sung-Yup Kim, V. Barone
201286 citations
Semantic Scholar
New Mechanistic Insights into the Lignin β-O-4 Linkage Acidolysis with Ethylene Glycol Stabilization Aided by Multilevel Computational Chemistry
Alessandra De Santi, S. Monti, G. Barcaro, Zhen-Lei Zhang +2 more
2021ACS Sustainable Chemistry and Engineering79 citations Open access
Semantic Scholar
Dispersion corrected DFT approaches for Anharmonic Vibrational Frequency Calculations: Nucleobases and their Dimers
Teresa Fornaro, M. Biczysko, S. Monti, V. Barone
2014Physical Chemistry, Chemical Physics - PCCP76 citations Open access
Semantic Scholar
Reactive Dynamics Simulation of Monolayer and Multilayer Adsorption of Glycine on Cu(110)
S. Monti, Li Cui, Vincenzo Carravetta
201375 citations
Semantic Scholar
Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case
M. Biczysko, J. Bloino, G. Brancato, I. Cacelli +10 more
2012Theoretical Chemistry accounts67 citations Open access
Semantic Scholar
Interaction of β-Sheet Folds with a Gold Surface
M. Hoefling, S. Monti, S. Corni, K. Gottschalk
2011PLoS ONE67 citations Open access
Semantic Scholar
Cellulose Nanofiber-Graphene Oxide Biohybrids: Disclosing the Self-Assembly and Copper-Ion Adsorption Using Advanced Microscopy and ReaxFF Simulations.
Chuantao Zhu, S. Monti, Aji P. Mathew
2018ACS Nano61 citations
Semantic Scholar
Simulation of Gold Functionalization with Cysteine by Reactive Molecular Dynamics.
S. Monti, Vincenzo Carravetta, H. Ågren
2016Journal of Physical Chemistry Letters55 citations
Semantic Scholar
Realistic Modeling of Fluorescent Dye-Doped Silica Nanoparticles: A Step Toward the Understanding of their Enhanced Photophysical Properties.
A. Pedone, G. Prampolini, S. Monti, V. Barone
201155 citations Open access
Semantic Scholar
Atomic-Level Understanding for the Enhanced Generation of Hydrogen Peroxide by the Introduction of an Aryl Amino Group in Polymeric Carbon Nitrides
Tong Zhang, Waldemar Schilling, S. Khan, H. Y. Vincent Ching +8 more
2021ACS Catalysis50 citations
Semantic Scholar
Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach.
V. Barone, J. Bloino, S. Monti, A. Pedone +1 more
2011Physical Chemistry, Chemical Physics - PCCP50 citations Open access
Semantic Scholar
Toward Sustainable Li-Ion Battery Recycling: Green Metal–Organic Framework as a Molecular Sieve for the Selective Separation of Cobalt and Nickel
J. Pia̧tek, Tetyana M. Budnyak, S. Monti, G. Barcaro +6 more
2021ACS Sustainable Chemistry and Engineering47 citations Open access
Semantic Scholar
Evaluation of nanocellulose interaction with water pollutants using nanocellulose colloidal probes and molecular dynamic simulations.
Chuantao Zhu, S. Monti, Aji P. Mathew
2020Carbohydrate Polymers43 citations Open access
Semantic Scholar
Structure and dynamics of gold nanoparticles decorated with chitosan-gentamicin conjugates: ReaxFF molecular dynamics simulations to disclose drug delivery.
S. Monti, Jiya Jose, Athira Sahajan, N. Kalarikkal +1 more
2019Physical Chemistry, Chemical Physics - PCCP37 citations
Semantic Scholar
Journey toward the Surface: How Glycine Adsorbs on Titania in Water Solution
Li Cui, S. Monti, Vincenzo Carravetta
201235 citations
Semantic Scholar
Absorption and emission spectra of fluorescent silica nanoparticles from TD-DFT/MM/PCM calculations.
A. Pedone, G. Prampolini, S. Monti, V. Barone
2011Physical Chemistry, Chemical Physics - PCCP35 citations Open access
Semantic Scholar
Egg protein derived ultralightweight hybrid monolithic aerogel for water purification
S. Ozden, S. Monti, V. Tozzini, Nikita S. Dutta +7 more
2022Materials Today33 citations Open access
Semantic Scholar
An Integrated Protocol for the Accurate Calculation of Magnetic Interactions in Organic Magnets.
V. Barone, I. Cacelli, A. Ferretti, S. Monti +1 more
2011Journal of Chemical Theory and Computation33 citations
Semantic Scholar
Nanocellulose/graphene oxide layered membranes: elucidating their behaviour during filtration of water and metal ions in real time.
Luis Valencia, S. Monti, Sugam Kumar, Chuantao Zhu +3 more
2019Nanoscale31 citations Open access
Semantic Scholar
Dynamics and self-assembly of bio-functionalized gold nanoparticles in solution: Reactive molecular dynamics simulations
S. Monti, G. Barcaro, L. Sementa, Vincenzo Carravetta +1 more
2018Nano Reseach30 citations
Semantic Scholar
Characterization of the adsorption dynamics of trisodium citrate on gold in water solution
S. Monti, G. Barcaro, L. Sementa, Vincenzo Carravetta +1 more
201730 citations Open access
Semantic Scholar
The effects of ferulic acid on β-amyloid fibrillar structures investigated through experimental and computational techniques.
A. Sgarbossa, S. Monti, F. Lenci, E. Bramanti +2 more
2013Biochimica et Biophysica Acta30 citations
Semantic Scholar
Theoretical Investigation of Adsorption, Dynamics, Self-Aggregation, and Spectroscopic Properties of the D102 Indoline Dye on an Anatase (101) Substrate
S. Monti, M. Pastore, Li Cui, F. De Angelis +1 more
201629 citations
Semantic Scholar
Molecular dynamics simulations of melting and sintering of Si nanoparticles: a comparison of different force fields and computational models.
L. Sementa, G. Barcaro, S. Monti, Vincenzo Carravetta
2018Physical Chemistry, Chemical Physics - PCCP26 citations Open access
Semantic Scholar
Molecular Dynamics Simulations of the Adsorption and Dynamical Behavior of Single DNA Components on TiO2
S. Monti, T. Walsh
201126 citations
Semantic Scholar
Multivalent ion-induced re-entrant transition of carboxylated cellulose nanofibrils and its influence on nanomaterials' properties.
Luis Valencia, Emma M. Nomena, S. Monti, Walter Rosas-Arbelaez +3 more
2020Nanoscale25 citations Open access
Semantic Scholar
Structure-Properties Relationships in Triplet Ground State Organic Diradicals: A Computational Study.
V. Barone, Corentin Boilleau, I. Cacelli, A. Ferretti +2 more
2013Journal of Chemical Theory and Computation25 citations
Semantic Scholar
Cysteine on TiO2(110): a theoretical study by reactive dynamics and photoemission spectra simulation.
Li Cui, S. Monti, H. Ågren, Vincenzo Carravetta
2014Langmuir24 citations
Semantic Scholar
Conformations of phenylalanine in the tripeptides AFA and GFG probed by combining MD simulations with NMR, FTIR, polarized Raman, and VCD spectroscopy.
S. Pizzanelli, C. Forte, S. Monti, G. Zandomeneghi +3 more
2010Journal of Physical Chemistry B24 citations
Semantic Scholar
Microscopic Hybrid Membranes Made of Cellulose-Based Materials Tuned for Removing Metal Ions from Industrial Effluents
Z. Karim, S. Monti
2021ACS Applied Polymer Materials23 citations
Semantic Scholar
NEXAFS and XPS studies of nitrosyl chloride.
L. Schio, Li Cui, S. Monti, P. Salén +8 more
2015Physical Chemistry, Chemical Physics - PCCP23 citations
Semantic Scholar
Pi-Pi Stacking Complex Induces Three-Component Coupling Reactions to Synthesize Functionalized Amines.
Tong Zhang, Jaro Vanderghinste, Andrea Guidetti, S. Van Doorslaer +3 more
2022Angewandte Chemie21 citations Open access
Semantic Scholar
Singlet-triplet energy gap of a diarylnitroxide diradical by an accurate many-body perturbative approach.
V. Barone, I. Cacelli, A. Ferretti, S. Monti +1 more
2011Physical Chemistry, Chemical Physics - PCCP21 citations
Semantic Scholar
ReaxFF Simulations of Lignin Fragmentation on a Palladium-Based Heterogeneous Catalyst in Methanol-Water Solution.
S. Monti, Pemikar Srifa, Ivan Kumaniaev, Joseph S. M. Samec
2018Journal of Physical Chemistry Letters20 citations
Semantic Scholar
Decoration of gold nanoparticles with cysteine in solution: reactive molecular dynamics simulations.
S. Monti, Vincenzo Carravetta, H. Ågren
2016Nanoscale20 citations
Semantic Scholar
Molecular Dynamics Simulations of the Self-Assembly of Tetraphenylporphyrin-Based Monolayers and Bilayers at a Silver Interface
V. Barone, M. Casarin, D. Forrer, S. Monti +1 more
201119 citations
Semantic Scholar
Dropping a Droplet of Cysteine Molecules on a Rutile (110) Interface: Reactive versus Nonreactive Classical Molecular Dynamics Simulations
S. Monti, Li Cui, H. Ågren, Vincenzo Carravetta
201518 citations
Semantic Scholar
Interaction of collagen with chlorosulphonated paraffin tanning agents: Fourier transform infrared spectroscopic analysis and molecular dynamics simulations.
S. Monti, E. Bramanti, Valentina Della Porta, M. Onor +2 more
2013Physical Chemistry, Chemical Physics - PCCP18 citations
Semantic Scholar
Parametrization of a Reactive Force Field (ReaxFF) for Molecular Dynamics Simulations of Si Nanoparticles.
G. Barcaro, S. Monti, L. Sementa, Vincenzo Carravetta
2017Journal of Chemical Theory and Computation17 citations
Semantic Scholar
Upscaled engineered functional microfibrillated cellulose flat sheet membranes for removing charged water pollutants
Z. Karim, Dimitrios Georgouvelas, A. Svedberg, S. Monti +1 more
2022Separation and Purification Technology16 citations
Semantic Scholar
Adsorption of Collagen Nanofibrils on Rough TiO2: A Molecular Dynamics Study
W. Friedrichs, B. Ohler, W. Langel, S. Monti +1 more
201116 citations Open access
Semantic Scholar
Advanced applications of 2/3D nanocellulose-based hybrid materials prepared via in-situ mineralization
Luis Valencia, Rishab Handa, S. Monti, A. Jasso +6 more
2022Journal of Materials Chemistry A15 citations Open access
Semantic Scholar
Design of ultrathin hybrid membranes with improved retention efficiency of molecular dyes
Peng Liu, Charles Milletto, S. Monti, Chuantao Zhu +1 more
2019RSC Advances15 citations Open access
Semantic Scholar
Self Assembling behaviour of self-complementary oligopeptides on biocompatible substrates
C. Battocchio, G. Iucci, M. Dettin, Vincenzo Carravetta +2 more
201015 citations
Semantic Scholar
Diverse Phases of Carbonaceous Materials from Stochastic Simulations
S. Monti, G. Barcaro, W. Goddard, A. Fortunelli
2021ACS Nano14 citations Open access
Semantic Scholar

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