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De Mitri, Nicola
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1

SSIPTools: Software and Methodology for Surface Site Intera..:

Driver, Mark D. ; Williamson, Mark J. ; De Mitri, Nicola..
Journal of Chemical Information and Modeling.  61 (2021)  11 - p. 5331-5335 , 2021
Link: https://doi.org/10.1021/..
 
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2

Automated parameterization of quantum-mechanically derived ..:

Campetella, Marco ; De Mitri, Nicola ; Prampolini, Giacomo
The Journal of Chemical Physics.  153 (2020)  4 - p. 044106 , 2020
Link: https://doi.org/10.1063/..
 
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3

Understanding the Influence of Surface Solvation and Struct..:

Belenguer, Ana M. ; Lampronti, Giulio I. ; De Mitri, Nicola...
Journal of the American Chemical Society.  140 (2018)  49 - p. 17051-17059 , 2018
Link: https://doi.org/10.1021/..
 
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4

Systematic and Automated Development of Quantum Mechanicall..:

Prampolini, Giacomo ; Campetella, Marco ; De Mitri, Nicola..
Journal of Chemical Theory and Computation.  12 (2016)  11 - p. 5525-5540 , 2016
Link: https://doi.org/10.1021/..
 
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5

Electronic absorption spectra of pyridine and nicotine in a..:

Pagliai, Marco ; Mancini, Giordano ; Carnimeo, Ivan..
Journal of Computational Chemistry.  38 (2016)  6 - p. 319-335 , 2016
Link: https://doi.org/10.1002/..
 
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6

Evidences of long lived cages in functionalized polymers: E..:

Prampolini, Giacomo ; Monti, Susanna ; De Mitri, Nicola.
Chemical Physics Letters.  601 (2014)  - p. 134-138 , 2014
Link: https://doi.org/10.1016/..
 
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7

Absorption and Emission Spectra of a Flexible Dye in Soluti..:

De Mitri, Nicola ; Monti, Susanna ; Prampolini, Giacomo.
Journal of Chemical Theory and Computation.  9 (2013)  10 - p. 4507-4516 , 2013
Link: https://doi.org/10.1021/..
 
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8

Joyce and Ulysses: integrated and user-friendly tools for t..:

Barone, Vincenzo ; Cacelli, Ivo ; De Mitri, Nicola...
Physical Chemistry Chemical Physics.  15 (2013)  11 - p. 3736 , 2013
Link: https://doi.org/10.1039/..
 
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9

Analytical First and Second Derivatives for a Fully Polariz..:

Lipparini, Filippo ; Cappelli, Chiara ; Scalmani, Giovanni..
Journal of Chemical Theory and Computation.  8 (2012)  11 - p. 4270-4278 , 2012
Link: https://doi.org/10.1021/..
 
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10

SSIPTools: Software and Methodology for Surface Site Intera..:

Driver, Mark D ; Williamson, Mark J ; De Mitri, Nicola..
https://www.repository.cam.ac.uk/handle/1810/332232.  , 2022
Link: https://www.repository.c..
 
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11

Dataset for: An activatable cancer-targeted hydrogen peroxi..:

Weber, Judith ; Bollepalli, Laura ; Belenguer, Ana...
https://doi.org/10.1158/0008-5472.can-19-0691.  , 2019
Link: https://doi.org/10.17863..
 
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12

An activatable cancer-targeted hydrogen peroxide probe for ..:

Weber, Judith ; Bollepalli, Laura ; Belenguer, Ana M...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7611383/.  , 2019
Link: http://www.ncbi.nlm.nih...
 
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13

Electronic absorption spectra of pyridine and nicotine in a..:

PAGLIAI, MARCO ; MANCINI, GIORDANO ; CARNIMEO, ivan..
info:eu-repo/semantics/altIdentifier/wos/WOS:000392857400001.  , 2017
Link: http://hdl.handle.net/11..
 
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14

Systematic and Automated Development of Quantum Mechanicall..:

PRAMPOLINI, GIACOMO ; CAMPETELLA, MARCO ; De Mitri, Nicola..
info:eu-repo/semantics/altIdentifier/pmid/27709949.  , 2016
Link: http://hdl.handle.net/11..
 
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15

Electronic absorption spectra of pyridine and nicotine in a..:

Pagliai, Marco ; Mancini, Giordano ; Carnimeo, Ivan..
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6680224/.  , 2016
Link: http://www.ncbi.nlm.nih...
 
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