Enrico Ronca - Publications

Affiliations: 
2016-2017 Chemistry California Institute of Technology, Pasadena, CA 
 2017-2019 Theory Max-Planck Institute for the Structure and Dynamics of Matter 
 2019- Istituto per i Processi Chimico-Fisici Consiglio Nazionale delle Ricerche (CNR), Italy 
Area:
Theoretical Chemistry/Physics
Website:
https://eronca.wordpress.com

27/32 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Haugland TS, Schäfer C, Ronca E, Rubio A, Koch H. Intermolecular interactions in optical cavities: An ab initio QED study. The Journal of Chemical Physics. 154: 094113. PMID 33685159 DOI: 10.1063/5.0039256  1
2020 Sun Q, Zhang X, Banerjee S, Bao P, Barbry M, Blunt NS, Bogdanov NA, Booth GH, Chen J, Cui ZH, Eriksen JJ, Gao Y, Guo S, Hermann J, Hermes MR, ... ... Ronca E, et al. Recent developments in the PySCF program package. The Journal of Chemical Physics. 153: 024109. PMID 32668948 DOI: 10.1063/5.0006074  1
2020 Motta M, Genovese C, Ma F, Cui Z, Sawaya R, Chan GK, Chepiga N, Helms P, Jiménez-Hoyos C, Millis AJ, Ray U, Ronca E, Shi H, Sorella S, Stoudenmire EM, et al. Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases Physical Review X. 10. DOI: 10.1103/Physrevx.10.031058  1
2019 Cesario D, Nunzi F, Belpassi L, Pirani F, Ronca E, Tarantelli F. Chemical Bond Mechanism for Helium Revealed by Electronic Excitation. The Journal of Physical Chemistry. A. PMID 31274318 DOI: 10.1021/Acs.Jpca.9B05351  1
2019 Latini S, Ronca E, De Giovannini U, Hübener H, Rubio A. Cavity Control of Excitons in Two-Dimensional Materials. Nano Letters. PMID 31046291 DOI: 10.1021/Acs.Nanolett.9B00183  0.64
2017 Ronca E, Li Z, Jimenez-Hoyos CA, Chan GK. Time-step targeting time-dependent and dynamical density matrix renormalization group algorithms with ab initio Hamiltonians. Journal of Chemical Theory and Computation. PMID 28953377 DOI: 10.1021/Acs.Jctc.7B00682  1
2017 Sokolov AY, Guo S, Ronca E, Chan GK. Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes. The Journal of Chemical Physics. 146: 244102. PMID 28668022 DOI: 10.1063/1.4986975  1
2015 Azpiroz JM, Ronca E, De Angelis F. Photoinduced Energy Shift in Quantum-Dot-Sensitized TiO2: A First-Principles Analysis. The Journal of Physical Chemistry Letters. 6: 1423-9. PMID 26263146 DOI: 10.1021/Acs.Jpclett.5B00393  1
2015 Azpiroz JM, Ronca E, De Angelis F. Photoinduced energy shift in quantum-dot-sensitized TiO<inf>2</inf>: A first-principles analysis Journal of Physical Chemistry Letters. 6: 1423-1429. DOI: 10.1021/acs.jpclett.5b00393  1
2015 Lasser L, Ronca E, Pastore M, De Angelis F, Cornil J, Lazzaroni R, Beljonne D. Energy level alignment at titanium oxide-dye interfaces: Implications for electron injection and light harvesting Journal of Physical Chemistry C. 119: 9899-9909. DOI: 10.1021/Acs.Jpcc.5B01267  1
2014 Ronca E, Angeli C, Belpassi L, De Angelis F, Tarantelli F, Pastore M. Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States. Journal of Chemical Theory and Computation. 10: 4014-24. PMID 26588545 DOI: 10.1021/Ct5004675  1
2014 Mosconi E, Ronca E, De Angelis F. First-Principles Investigation of the TiO2/Organohalide Perovskites Interface: The Role of Interfacial Chlorine. The Journal of Physical Chemistry Letters. 5: 2619-25. PMID 26277953 DOI: 10.1021/Jz501127K  1
2014 Fantacci S, Ronca E, De Angelis F. Impact of Spin-Orbit Coupling on Photocurrent Generation in Ruthenium Dye-Sensitized Solar Cells. The Journal of Physical Chemistry Letters. 5: 375-80. PMID 26270714 DOI: 10.1021/Jz402544R  1
2014 Ronca E, Belpassi L, Tarantelli F. A quantitative view of charge transfer in the hydrogen bond: the water dimer case. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 2682-7. PMID 25044753 DOI: 10.1002/Cphc.201402321  1
2014 Amat A, Mosconi E, Ronca E, Quarti C, Umari P, Nazeeruddin MK, Grätzel M, De Angelis F. Cation-induced band-gap tuning in organohalide perovskites: interplay of spin-orbit coupling and octahedra tilting. Nano Letters. 14: 3608-16. PMID 24797342 DOI: 10.1021/Nl5012992  1
2014 Ronca E, Pastore M, Belpassi L, De Angelis F, Angeli C, Cimiraglia R, Tarantelli F. Charge-displacement analysis for excited states. The Journal of Chemical Physics. 140: 054110. PMID 24511925 DOI: 10.1063/1.4863411  1
2014 Mosconi E, Ronca E, De Angelis F. First-principles investigation of the TiO2/organohalide perovskites interface: The role of interfacial chlorine Journal of Physical Chemistry Letters. 5: 2619-2625. DOI: 10.1021/jz501127k  1
2014 Fantacci S, Ronca E, De Angelis F. Impact of spin-orbit coupling on photocurrent generation in ruthenium dye-sensitized solar cells Journal of Physical Chemistry Letters. 5: 375-380. DOI: 10.1021/jz402544r  1
2014 Ronca E, De Angelis F, Fantacci S. Time-dependent density functional theory modeling of spin-orbit coupling in ruthenium and osmium solar cell sensitizers Journal of Physical Chemistry C. 118: 17067-17078. DOI: 10.1021/Jp500869R  1
2014 Ronca E, Marotta G, Pastore M, De Angelis F. Effect of sensitizer structure and TiO2 protonation on charge generation in dye-sensitized solar cells Journal of Physical Chemistry C. 118: 16927-16940. DOI: 10.1021/Jp5004853  1
2014 Ronca E, Angeli C, Belpassi L, De Angelis F, Tarantelli F, Pastore M. Density relaxation in time-dependent density functional theory: Combining relaxed density natural orbitals and multireference perturbation theories for an improved description of excited states Journal of Chemical Theory and Computation. 10: 4014-4024. DOI: 10.1021/ct5004675  1
2013 Agrawal S, Leijtens T, Ronca E, Pastore M, Snaith H, De Angelis F. Modeling the effect of ionic additives on the optical and electronic properties of a dye-sensitized TiO2 heterointerface: Absorption, charge injection and aggregation Journal of Materials Chemistry A. 1: 14675-14685. DOI: 10.1039/C3Ta12917A  1
2013 Nunzi F, Mosconi E, Storchi L, Ronca E, Selloni A, Grätzel M, De Angelis F. Inherent electronic trap states in TiO2 nanocrystals: Effect of saturation and sintering Energy and Environmental Science. 6: 1221-1229. DOI: 10.1039/C3Ee24100A  1
2013 Ronca E, Pastore M, Belpassi L, Tarantelli F, De Angelis F. Influence of the dye molecular structure on the TiO2 conduction band in dye-sensitized solar cells: Disentangling charge transfer and electrostatic effects Energy and Environmental Science. 6: 183-193. DOI: 10.1039/C2Ee23170K  1
2013 Moehl T, Tsao HN, Wu KL, Hsu HC, Chi Y, Ronca E, De Angelis F, Nazeeruddin MK, Grätzel M. High open-circuit voltages: Evidence for a sensitizer-induced tio 2 conduction band shift in ru(ii)-dye sensitized solar cells Chemistry of Materials. 25: 4497-4502. DOI: 10.1021/Cm401872Q  1
2012 Anselmi C, Mosconi E, Pastore M, Ronca E, De Angelis F. Adsorption of organic dyes on TiO2 surfaces in dye-sensitized solar cells: interplay of theory and experiment. Physical Chemistry Chemical Physics : Pccp. 14: 15963-74. PMID 23108504 DOI: 10.1039/C2Cp43006A  1
2012 Cappelletti D, Ronca E, Belpassi L, Tarantelli F, Pirani F. Revealing charge-transfer effects in gas-phase water chemistry. Accounts of Chemical Research. 45: 1571-80. PMID 22775359 DOI: 10.1021/Ar3000635  1
Low-probability matches
2020 Haugland TS, Ronca E, Kjønstad EF, Rubio A, Koch H. Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States Physical Review X. 10. DOI: 10.1103/PhysRevX.10.041043  0.01
2019 Wang X, Ronca E, Sentef MA. Cavity quantum electrodynamical Chern insulator: Towards light-induced quantized anomalous Hall effect in graphene Physical Review B. 99. DOI: 10.1103/Physrevb.99.235156  0.01
2016 McClain J, Lischner J, Watson T, Matthews DA, Ronca E, Louie SG, Berkelbach TC, Chan GK. Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to theGWand related approximations Physical Review B. 93. DOI: 10.1103/Physrevb.93.235139  0.01
2004 Signorini L, Barbi M, Matteelli A, Binda S, Didò P, Caroppo S, Primache V, Pisani S, Messino C, Brunelli M, Costa P, Ronca E, Fausti C, Castelli F. Prevalence of anti-poliovirus type 1, 2 and 3 antibodies in unvaccinated Italian travelers. Journal of Travel Medicine. 11: 34-6. PMID 14769285  0.01
1987 Sieghart W, Ronca E, Drexler G, Karall S. Improved radioimmunoassay of melatonin in serum. Clinical Chemistry. 33: 604-5. PMID 3829399  0.01
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