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Illobre, Pablo Grobas, Lafiosca, Piero, Bonatti, Luca, Giovannini, Tommaso, Cappelli, Chiara (2025) Mixed atomistic–implicit quantum/classical approach to molecular nanoplasmonics. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0245629

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Reference TypeJournal (article/letter/editorial)
TitleMixed atomistic–implicit quantum/classical approach to molecular nanoplasmonics
JournalThe Journal of Chemical Physics
AuthorsIllobre, Pablo GrobasAuthor
Lafiosca, PieroAuthor
Bonatti, LucaAuthor
Giovannini, TommasoAuthor
Cappelli, ChiaraAuthor
Year2025 (January 28)Volume162
Issue4
PublisherAIP Publishing
DOIdoi:10.1063/5.0245629Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID17943307Long-form Identifiermindat:1:5:17943307:8
GUID0
Full ReferenceIllobre, Pablo Grobas, Lafiosca, Piero, Bonatti, Luca, Giovannini, Tommaso, Cappelli, Chiara (2025) Mixed atomistic–implicit quantum/classical approach to molecular nanoplasmonics. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0245629
Plain TextIllobre, Pablo Grobas, Lafiosca, Piero, Bonatti, Luca, Giovannini, Tommaso, Cappelli, Chiara (2025) Mixed atomistic–implicit quantum/classical approach to molecular nanoplasmonics. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0245629
In(2025, January) The Journal of Chemical Physics Vol. 162 (4). AIP Publishing

References Listed

These are the references the publisher has listed as being connected to the article. Please check the article itself for the full list of references which may differ. Not all references are currently linkable within the Digital Library.

Giannini, Vincenzo, Fernández-Domínguez, Antonio I., Heck, Susannah C., Maier, Stefan A. (2011) Plasmonic Nanoantennas: Fundamentals and Their Use in Controlling the Radiative Properties of Nanoemitters. Chemical Reviews, 111 (6) 3888-3912 doi:10.1021/cr1002672
(2007) Plasmonics: Fundamentals and Applications
Odom, Teri W., Schatz, George C. (2011) Introduction to Plasmonics. Chemical Reviews, 111 (6) 3667-3668 doi:10.1021/cr2001349
Kelly, K. Lance, Coronado, Eduardo, Zhao, Lin Lin, Schatz, George C. (2003) The Optical Properties of Metal Nanoparticles:  The Influence of Size, Shape, and Dielectric Environment. The Journal of Physical Chemistry B, 107 (3). 668-677 doi:10.1021/jp026731y
Coccia, E., Fregoni, J., Guido, C. A., Marsili, M., Pipolo, S., Corni, S. (2020) Hybrid theoretical models for molecular nanoplasmonics. The Journal of Chemical Physics, 153 (20) 200901pp. doi:10.1063/5.0027935
Willets, Katherine A., Van Duyne, Richard P. (2007) Localized Surface Plasmon Resonance Spectroscopy and Sensing. Annual Review of Physical Chemistry, 58. 267-297 doi:10.1146/annurev.physchem.58.032806.104607
Zhang, R., Zhang, Y., Dong, Z. C., Jiang, S., Zhang, C., Chen, L. G., Zhang, L., Liao, Y., Aizpurua, J., Luo, Y., Yang, J. L., Hou, J. G. (2013) Chemical mapping of a single molecule by plasmon-enhanced Raman scattering. Nature, 498 (7452). 82-86 doi:10.1038/nature12151
Jiang, Song, Zhang, Yao, Zhang, Rui, Hu, Chunrui, Liao, Menghan, Luo, Yi, Yang, Jinlong, Dong, Zhenchao, Hou, J. G. (2015) Distinguishing adjacent molecules on a surface using plasmon-enhanced Raman scattering. Nature Nanotechnology, 10 (10). 865-869 doi:10.1038/nnano.2015.170
Not Yet Imported: - journal-article : 10.1021/acs.nanolett.6b03958

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1021/acsnano.9b04224

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1021/acs.jctc.3c00177

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Zhao, , Jensen, Lasse, Schatz, George C. (2006) Pyridine−Ag20Cluster:  A Model System for Studying Surface-Enhanced Raman Scattering. Journal Of The American Chemical Society, 128 (9) 2911-2919 doi:10.1021/ja0556326
Jensen, Lasse, Aikens, Christine M., Schatz, George C. (2008) Electronic structure methods for studying surface-enhanced Raman scattering. Chemical Society Reviews, 37. 1061pp. doi:10.1039/b706023h
Morton, Seth M., Jensen, Lasse (2009) Understanding the Molecule−Surface Chemical Coupling in SERS. Journal Of The American Chemical Society, 131 (11) 4090-4098 doi:10.1021/ja809143c
Morton, Seth M., Silverstein, Daniel W., Jensen, Lasse (2011) Theoretical Studies of Plasmonics using Electronic Structure Methods. Chemical Reviews, 111 (6) 3962-3994 doi:10.1021/cr100265f
Sánchez-González, Ángel, Corni, Stefano, Mennucci, Benedetta (2011) Surface-Enhanced Fluorescence within a Metal Nanoparticle Array: The Role of Solvent and Plasmon Couplings. The Journal of Physical Chemistry C, 115 (13). 5450-5460 doi:10.1021/jp111196f
Morton, Seth Michael, Jensen, Lasse (2010) A discrete interaction model/quantum mechanical method for describing response properties of molecules adsorbed on metal nanoparticles. The Journal of Chemical Physics, 133 (7). 74103pp. doi:10.1063/1.3457365
Morton, Seth Michael, Jensen, Lasse (2011) A discrete interaction model/quantum mechanical method to describe the interaction of metal nanoparticles and molecular absorption. The Journal of Chemical Physics, 135 (13). 134103pp. doi:10.1063/1.3643381
Mie, Gustav (1908) Beiträge zur Optik trüber Medien, speziell kolloidaler Metallösungen. Annalen der Physik, 330. 377-445 doi:10.1002/andp.19083300302
(2005) Computational Electromagnetics: The Finite-Difference Time-Domain Method
García de Abajo, F. J., Howie, A. (2002) Retarded field calculation of electron energy loss in inhomogeneous dielectrics. Physical Review B, 65 (11) doi:10.1103/physrevb.65.115418
Myroshnychenko, Viktor, Carbó-Argibay, Enrique, Pastoriza-Santos, Isabel, Pérez-Juste, Jorge, Liz-Marzán, Luis M., García de Abajo, F. Javier (2008) Modeling the Optical Response of Highly Faceted Metal Nanoparticles with a Fully 3D Boundary Element Method. Advanced Materials, 20. 4288-4293 doi:10.1002/adma.200703214
Not Yet Imported: - journal-article : 10.1038/s41570-019-0092-4

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Bonatti, Luca, Gil, Gabriel, Giovannini, Tommaso, Corni, Stefano, Cappelli, Chiara (2020) Plasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches. Frontiers in Chemistry, 8. doi:10.3389/fchem.2020.00340
Jensen, Lin Lin, Jensen, Lasse (2008) Electrostatic Interaction Model for the Calculation of the Polarizability of Large Noble Metal Nanoclusters. The Journal of Physical Chemistry C, 112 (40). 15697-15703 doi:10.1021/jp804116z
Jensen, Lin Lin, Jensen, Lasse (2009) Atomistic Electrodynamics Model for Optical Properties of Silver Nanoclusters. The Journal of Physical Chemistry C, 113 (34). 15182-15190 doi:10.1021/jp904956f
Zakomirnyi, Vadim I., Rinkevicius, Zilvinas, Baryshnikov, Glib V., Sørensen, Lasse K., Ågren, Hans (2019) Extended Discrete Interaction Model: Plasmonic Excitations of Silver Nanoparticles. The Journal of Physical Chemistry C, 123 (47). 28867-28880 doi:10.1021/acs.jpcc.9b07410
Zakomirnyi, Vadim I., Rasskazov, Ilia L., Sørensen, Lasse K., Carney, P. Scott, Rinkevicius, Zilvinas, Ågren, Hans (2020) Plasmonic nano-shells: atomistic discrete interaction versus classic electrodynamics models. Physical Chemistry Chemical Physics, 22 (24) 13467-13473 doi:10.1039/d0cp02248a
Payton, John L., Morton, Seth M., Moore, Justin E., Jensen, Lasse (2012) A discrete interaction model/quantum mechanical method for simulating surface-enhanced Raman spectroscopy. The Journal of Chemical Physics, 136 (21). 214103pp. doi:10.1063/1.4722755
Pei, Zheng, Mao, Yuezhi, Shao, Yihan, Liang, WanZhen (2022) Analytic high-order energy derivatives for metal nanoparticle-mediated infrared and Raman scattering spectra within the framework of quantum mechanics/molecular mechanics model with induced charges and dipoles. The Journal of Chemical Physics, 157 (16) 164110 doi:10.1063/5.0118205
Giovannini, Tommaso, Rosa, Marta, Corni, Stefano, Cappelli, Chiara (2019) A classical picture of subnanometer junctions: an atomistic Drude approach to nanoplasmonics. Nanoscale, 11. 6004-6015 doi:10.1039/c8nr09134j
Not Yet Imported: - journal-article : 10.1021/acs.jpclett.0c02051

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Lafiosca, Piero, Giovannini, Tommaso, Benzi, Michele, Cappelli, Chiara (2021) Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures. The Journal of Physical Chemistry C, 125 (43) 23848-23863 doi:10.1021/acs.jpcc.1c04716
Not Yet Imported: Nanoscale Advances - journal-article : 10.1039/d2na00088a

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: ACS Photonics - journal-article : 10.1021/acsphotonics.2c00761

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Not Yet Imported: - journal-article : 10.1021/acsphotonics.2c01157

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Not Yet Imported: Frontiers in Photonics - journal-article : 10.3389/fphot.2023.1199598

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Lafiosca, Piero, Nicoli, Luca, Pipolo, Silvio, Corni, Stefano, Giovannini, Tommaso, Cappelli, Chiara (2024) Real-Time Formulation of Atomistic Electromagnetic Models for Plasmonics. The Journal of Physical Chemistry C, 128 (41). doi:10.1021/acs.jpcc.4c04002
(2024) ACS Phys. Chem. Au 4, 669
Corni, S., Tomasi, J. (2001) Enhanced response properties of a chromophore physisorbed on a metal particle. The Journal of Chemical Physics, 114 (8). 3739-3751 doi:10.1063/1.1342241
Corni, S., Tomasi, J. (2001) Theoretical evaluation of Raman spectra and enhancement factors for a molecule adsorbed on a complex-shaped metal particle. Chemical Physics Letters, 342. 135-140 doi:10.1016/s0009-2614(01)00582-6
Corni, S., Tomasi, J. (2002) Surface enhanced Raman scattering from a single molecule adsorbed on a metal particle aggregate: A theoretical study. The Journal of Chemical Physics, 116 (3). 1156-1164 doi:10.1063/1.1428349
Corni, S, Tomasi, J (2002) Erratum to: Theoretical evaluation of Raman spectra and enhancement factors for a molecule adsorbed on a complex-shaped metal particle [Chem. Phys. Lett. 342 (2001) 135–140]. Chemical Physics Letters, 365. 552-553 doi:10.1016/s0009-2614(02)01506-3
(2006) Surface-Enhanced Raman Scattering , 105
Romanelli, Marco, Dall’Osto, Giulia, Corni, Stefano (2021) Role of metal-nanostructure features on tip-enhanced photoluminescence of single molecules. The Journal of Chemical Physics, 155 (21) 214304pp. doi:10.1063/5.0066758
Not Yet Imported: - journal-article : 10.1038/s42004-024-01118-1

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Hohenester, Ulrich, Trügler, Andreas (2012) MNPBEM – A Matlab toolbox for the simulation of plasmonic nanoparticles. Computer Physics Communications, 183. 370-381 doi:10.1016/j.cpc.2011.09.009
(1995) Recent Advances in Density Functional Methods: (Part I) , 155
Albrecht, M. Grant, Creighton, J. Alan (1977) Anomalously intense Raman spectra of pyridine at a silver electrode. Journal Of The American Chemical Society, 99 (15) 5215-5217 doi:10.1021/ja00457a071
Not Yet Imported: - journal-article : 10.1016/s0022-0728(77)80224-6

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Campion, Alan, Kambhampati, Patanjali (1998) Surface-enhanced Raman scattering. Chemical Society Reviews, 27. 241pp. doi:10.1039/a827241z
Not Yet Imported: Nano Letters - journal-article : 10.1021/nl050928v

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Alvarez-Puebla, Ramón, Liz-Marzán, Luis M., García de Abajo, F. Javier (2010) Light Concentration at the Nanometer Scale. The Journal of Physical Chemistry Letters, 1 (16). 2428-2434 doi:10.1021/jz100820m
(2008) Principles of Surface-Enhanced Raman Spectroscopy: And Related Plasmonic Effects
Not Yet Imported: - journal-article : 10.1016/s1369-7021(12)70017-2

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Nature Reviews Methods Primers - journal-article : 10.1038/s43586-021-00083-6

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Golab, J. T., Sprague, J. R., Carron, K. T., Schatz, G. C., Van Duyne, R. P. (1988) A surface enhanced hyper‐Raman scattering study of pyridine adsorbed onto silver: Experiment and theory. The Journal of Chemical Physics, 88 (12). 7942-7951 doi:10.1063/1.454251
Not Yet Imported: - journal-article : 10.1039/c8tb00902c

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Accounts of Chemical Research - journal-article : 10.1021/acs.accounts.9b00545

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Su, Hai-Sheng, Feng, Hui-Shu, Wu, Xiang, Sun, Juan-Juan, Ren, Bin (2021) Recent advances in plasmon-enhanced Raman spectroscopy for catalytic reactions on bifunctional metallic nanostructures. Nanoscale, 13 (33) 13962-13975 doi:10.1039/d1nr04009j
Not Yet Imported: ACS Sensors - journal-article : 10.1021/acssensors.0c00784

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Fang, Leyi, Pan, Xiao-Tong, Liu, Kang, Jiang, Dechen, Ye, Deju, Ji, Li-Na, Wang, Kang, Xia, Xing-Hua (2023) Surface-Roughened SERS-Active Single Silver Nanowire for Simultaneous Detection of Intracellular and Extracellular pHs. ACS Applied Materials & Interfaces, 15 (17) 20677-20685 doi:10.1021/acsami.3c00844
Troncoso-Afonso, Lara, Vinnacombe-Willson, Gail A., García-Astrain, Clara, Liz-Márzan, Luis M. (2024) SERS in 3D cell models: a powerful tool in cancer research. Chemical Society Reviews, 53 (10) 5118-5148 doi:10.1039/d3cs01049j
Perumal, Jayakumar, Wang, Yusong, Attia, Amalina Binte Ebrahim, Dinish, U. S., Olivo, Malini (2021) Towards a point-of-care SERS sensor for biomedical and agri-food analysis applications: a review of recent advancements. Nanoscale, 13 (2) 553-580 doi:10.1039/d0nr06832b
Not Yet Imported: - journal-article : 10.1039/d3na00763d

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Pinchuk, Anatoliy, Plessen, Gero von, Kreibig, Uwe (2004) Influence of interband electronic transitions on the optical absorption in metallic nanoparticles. Journal of Physics D: Applied Physics, 37. 3133-3139 doi:10.1088/0022-3727/37/22/012
Pinchuk, A., Kreibig, U., Hilger, A. (2004) Optical properties of metallic nanoparticles: influence of interface effects and interband transitions. Surface Science, 557 (1). 269-280 doi:10.1016/j.susc.2004.03.056
Balamurugan, B., Maruyama, Toshiro (2005) Evidence of an enhanced interband absorption in Au nanoparticles: Size-dependent electronic structure and optical properties. Applied Physics Letters, 87 (14). 143105pp. doi:10.1063/1.2077834
Not Yet Imported: - journal-article : 10.1021/acs.jctc.8b01149

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Mayer, A. (2007) Formulation in terms of normalized propagators of a charge-dipole model enabling the calculation of the polarization properties of fullerenes and carbon nanotubes. Physical Review B, 75 (4) doi:10.1103/physrevb.75.045407
Fuchs, R. (1975) Theory of the optical properties of ionic crystal cubes. Physical Review B, 11 (4) 1732-1740 doi:10.1103/physrevb.11.1732
Tomasi, Jacopo, Mennucci, Benedetta, Cammi, Roberto (2005) Quantum Mechanical Continuum Solvation Models. Chemical Reviews, 105 (8) 2999-3094 doi:10.1021/cr9904009
Vukovic, Sinisa, Corni, Stefano, Mennucci, Benedetta (2009) Fluorescence Enhancement of Chromophores Close to Metal Nanoparticles. Optimal Setup Revealed by the Polarizable Continuum Model. The Journal of Physical Chemistry C, 113 (1). 121-133 doi:10.1021/jp808116y
(2024) Nanoscale Adv. 6, 3410
(2000) Molecular Electronic-Structure Theory Molecular integral evaluation , 336
Warshel, A., Levitt, M. (1976) Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme. Journal of Molecular Biology, 103 (2). 227-249 doi:10.1016/0022-2836(76)90311-9
Not Yet Imported: Theoretical Chemistry Accounts - journal-article : 10.1007/s00214-006-0143-z

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Senn, Hans Martin, Thiel, Walter (2009) QM/MM Methods for Biomolecular Systems. Angewandte Chemie International Edition, 48 (7). 1198-1229 doi:10.1002/anie.200802019
Guido, Ciro A., Rosa, Marta, Cammi, Roberto, Corni, Stefano (2020) An open quantum system theory for polarizable continuum models. The Journal of Chemical Physics, 152 (17) 174114pp. doi:10.1063/5.0003523
Corni, Stefano, Pipolo, Silvio, Cammi, Roberto (2015) Equation of Motion for the Solvent Polarization Apparent Charges in the Polarizable Continuum Model: Application to Real-Time TDDFT. The Journal of Physical Chemistry A, 119 (21). 5405-5416 doi:10.1021/jp5106828
(2020)
Nicoli, Luca, Giovannini, Tommaso, Cappelli, Chiara (2022) Assessing the quality of QM/MM approaches to describe vacuo-to-water solvatochromic shifts. The Journal of Chemical Physics, 157 (21) 214101 doi:10.1063/5.0118664
(2018) Principles and Practices of Molecular Properties: Theory, Modeling, and Simulations
Giovannini, Tommaso, Egidi, Franco, Cappelli, Chiara (2020) Theory and algorithms for chiroptical properties and spectroscopies of aqueous systems. Physical Chemistry Chemical Physics, 22 (40) 22864-22879 doi:10.1039/d0cp04027d
Jensen, L., Autschbach, J., Schatz, G. C. (2005) Finite lifetime effects on the polarizability within time-dependent density-functional theory. The Journal of Chemical Physics, 122 (22). 224115pp. doi:10.1063/1.1929740
Not Yet Imported: - journal-article : 10.1021/ar400075r

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Marx (1934) Handbuch der Radiologie
Placzek, G., Teller, E. (1933) Die Rotationsstruktur der Ramanbanden mehratomiger Molek�le. Zeitschrift f�r Physik, 81. 209-258 doi:10.1007/bf01338366
Jensen, L., Zhao, L. L., Autschbach, J., Schatz, G. C. (2005) Theory and method for calculating resonance Raman scattering from resonance polarizability derivatives. The Journal of Chemical Physics, 123 (17). 174110pp. doi:10.1063/1.2046670
Hjorth Larsen, Ask, Jørgen Mortensen, Jens, Blomqvist, Jakob, Castelli, Ivano E, Christensen, Rune, Dułak, Marcin, Friis, Jesper, Groves, Michael N, Hammer, Bjørk, Hargus, Cory, Hermes, Eric D, Jennings, Paul C, Bjerre Jensen, Peter, Kermode, James, Kitchin, John R, Leonhard Kolsbjerg, Esben, Kubal, Joseph, Kaasbjerg, Kristen, Lysgaard, Steen, Bergmann Maronsson, Jón, Maxson, Tristan, Olsen, Thomas, Pastewka, Lars, Peterson, Andrew, Rostgaard, Carsten, Schiøtz, Jakob, Schütt, Ole, Strange, Mikkel, Thygesen, Kristian S, Vegge, Tejs, Vilhelmsen, Lasse, Walter, Michael, Zeng, Zhenhua, Jacobsen, Karsten W (2017) The atomic simulation environment—a Python library for working with atoms. Journal of Physics: Condensed Matter, 29 (27). 273002pp. doi:10.1088/1361-648x/aa680e
Not Yet Imported: - journal-article : 10.1002/nme.2579

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
(1997) Handbook of Optical Constants of Solids
Rakić, Aleksandar D., Djurišić, Aleksandra B., Elazar, Jovan M., Majewski, Marian L. (1998) Optical properties of metallic films for vertical-cavity optoelectronic devices. Applied Optics, 37. 5271pp. doi:10.1364/ao.37.005271
Johnson, P. B., Christy, R. W. (1972) Optical Constants of the Noble Metals. Physical Review B, 6 (12) 4370-4379 doi:10.1103/physrevb.6.4370
van Gisbergen, S. J. A., Snijders, J. G., Baerends, E. J. (1995) A density functional theory study of frequency‐dependent polarizabilities and Van der Waals dispersion coefficients for polyatomic molecules. The Journal of Chemical Physics, 103 (21). 9347-9354 doi:10.1063/1.469994
van Gisbergen, S.J.A., Snijders, J.G., Baerends, E.J. (1999) Implementation of time-dependent density functional response equations. Computer Physics Communications, 118. 119-138 doi:10.1016/s0010-4655(99)00187-3
Fan, Liangyou, Ziegler, Tom (1992) Application of density functional theory to infrared absorption intensity calculations on main group molecules. The Journal of Chemical Physics, 96 (12). 9005-9012 doi:10.1063/1.462258
Fan, Liangyou, Ziegler, Tom (1992) Application of density functional theory to infrared absorption intensity calculations on transition-metal carbonyls. The Journal of Physical Chemistry, 96 (17). 6937-6941 doi:10.1021/j100196a016
van Gisbergen, S.J.A., Snijders, J.G., Baerends, E.J. (1996) Application of time-dependent density functional response theory to Raman scattering. Chemical Physics Letters, 259. 599-604 doi:10.1016/0009-2614(96)00858-5
Park, Tae-Ho, Nordlander, Peter (2009) On the nature of the bonding and antibonding metallic film and nanoshell plasmons. Chemical Physics Letters, 472. 228-231 doi:10.1016/j.cplett.2009.03.029
Bardhan, Rizia, Mukherjee, Shaunak, Mirin, Nikolay A., Levit, Stephen D., Nordlander, Peter, Halas, Naomi J. (2010) Nanosphere-in-a-Nanoshell: A Simple Nanomatryushka. The Journal of Physical Chemistry C, 114 (16). 7378-7383 doi:10.1021/jp9095387
Halas, Naomi J., Lal, Surbhi, Chang, Wei-Shun, Link, Stephan, Nordlander, Peter (2011) Plasmons in Strongly Coupled Metallic Nanostructures. Chemical Reviews, 111 (6) 3913-3961 doi:10.1021/cr200061k
Prodan, E. (2003) A Hybridization Model for the Plasmon Response of Complex Nanostructures. Science, 302 (5644). 419-422 doi:10.1126/science.1089171
Not Yet Imported: Nano Letters - journal-article : 10.1021/nl049681c

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Not Yet Imported: - journal-article : 10.1021/nl402662e

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Not Yet Imported: - journal-article : 10.1364/oe.24.023941

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Thole, B.T. (1981) Molecular polarizabilities calculated with a modified dipole interaction. Chemical Physics, 59. 341-350 doi:10.1016/0301-0104(81)85176-2

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Giovannini, Tommaso, Del Frate, Gianluca, Lafiosca, Piero, Cappelli, Chiara (2018) Effective computational route towards vibrational optical activity spectra of chiral molecules in aqueous solution. Physical Chemistry Chemical Physics, 20 (14). 9181-9197 doi:10.1039/c8cp00487k
Gómez, Sara, Lafiosca, Piero, Egidi, Franco, Giovannini, Tommaso, Cappelli, Chiara (2023) UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA. Journal of Chemical Information and Modeling, 63 (4) 1208-1217 doi:10.1021/acs.jcim.2c01495
Sepali, Chiara, Lafiosca, Piero, Gómez, Sara, Giovannini, Tommaso, Cappelli, Chiara (2024) Effective fully polarizable QM/MM approaches to compute Raman and Raman Optical Activity spectra in aqueous solution. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 305. 123485 doi:10.1016/j.saa.2023.123485
 
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