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Filippo Lipparini, Ph.D. - Publications

Affiliations: 
2017- Theoretical Chemistry Università di Pisa, Pisa, Toscana, Italy 
Area:
Theoretical Chemistry
Website:
https://www.researchgate.net/profile/Filippo_Lipparini
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83/113 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
2024 Bondanza M, Nottoli T, Nottoli M, Cupellini L, Lipparini F, Mennucci B. The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics. The Journal of Chemical Physics. 160. PMID 38557842 DOI: 10.1063/5.0198251  0.813
2024 Moscato D, Mandelli G, Bondanza M, Lipparini F, Conte R, Mennucci B, Ceotto M. Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine. Journal of the American Chemical Society. PMID 38470354 DOI: 10.1021/jacs.3c12700  0.653
2023 Lambros E, Link B, Chow M, Lipparini F, Hammes-Schiffer S, Li X. Assessing Implicit and Explicit Polarizable Solvation Models for Nuclear-Electronic Orbital Systems: Quantum Proton Polarization and Solvation Energetics. The Journal of Physical Chemistry. A. 127: 9322-9333. PMID 37889479 DOI: 10.1021/acs.jpca.3c03153  0.347
2023 Pes F, Polack É, Mazzeo P, Dusson G, Stamm B, Lipparini F. A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics. The Journal of Physical Chemistry Letters. 14: 9720-9726. PMID 37879072 DOI: 10.1021/acs.jpclett.3c02098  0.812
2023 Mazzeo P, Hashem S, Lipparini F, Cupellini L, Mennucci B. Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor. The Journal of Physical Chemistry Letters. 1222-1229. PMID 36716231 DOI: 10.1021/acs.jpclett.2c03797  0.788
2022 Nottoli M, Mikhalev A, Stamm B, Lipparini F. Coarse-Graining ddCOSMO through an Interface between Tinker and the ddX Library. The Journal of Physical Chemistry. B. PMID 36265187 DOI: 10.1021/acs.jpcb.2c04579  0.808
2022 Pollastrini M, Pasquinelli L, Górecki M, Balzano F, Cupellini L, Lipparini F, Uccello Barretta G, Marchetti F, Pescitelli G, Angelici G. A Unique and Stable Polyproline I Helix Sorted out from Conformational Equilibrium by Solvent Polarity. The Journal of Organic Chemistry. PMID 36242553 DOI: 10.1021/acs.joc.2c01377  0.608
2022 Bondanza M, Demoulin B, Lipparini F, Barbatti M, Mennucci B. Trajectory Surface Hopping for a Polarizable Embedding QM/MM Formulation. The Journal of Physical Chemistry. A. 126: 6780-6789. PMID 36107729 DOI: 10.1021/acs.jpca.2c04756  0.656
2022 Gopakumar G, Muchová E, Unger I, Malerz S, Trinter F, Öhrwall G, Lipparini F, Mennucci B, Céolin D, Caleman C, Wilkinson I, Winter B, Slavíček P, Hergenhahn U, Björneholm O. Probing aqueous ions with non-local Auger relaxation. Physical Chemistry Chemical Physics : Pccp. 24: 8661-8671. PMID 35356960 DOI: 10.1039/d2cp00227b  0.778
2022 Mancini G, Fusè M, Lipparini F, Nottoli M, Scalmani G, Barone V. Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions: New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters. Journal of Chemical Theory and Computation. 18: 2479-2493. PMID 35257572 DOI: 10.1021/acs.jctc.2c00046  0.823
2022 Reinholdt P, Kongsted J, Lipparini F. Fast Approximate but Accurate QM/MM Interactions for Polarizable Embedding. Journal of Chemical Theory and Computation. 18: 344-356. PMID 34951300 DOI: 10.1021/acs.jctc.1c01037  0.31
2021 Hashem S, Macaluso V, Nottoli M, Lipparini F, Cupellini L, Mennucci B. From crystallographic data to the solution structure of photoreceptors: the case of the AppA BLUF domain. Chemical Science. 12: 13331-13342. PMID 34777752 DOI: 10.1039/d1sc03000k  0.764
2021 Polack É, Dusson G, Stamm B, Lipparini F. Grassmann Extrapolation of Density Matrices for Born-Oppenheimer Molecular Dynamics. Journal of Chemical Theory and Computation. 17: 6965-6973. PMID 34623810 DOI: 10.1021/acs.jctc.1c00751  0.797
2021 Nottoli M, Nifosì R, Mennucci B, Lipparini F. Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO Implementation. Journal of Chemical Theory and Computation. PMID 34476941 DOI: 10.1021/acs.jctc.1c00555  0.811
2021 Macaluso V, Hashem S, Nottoli M, Lipparini F, Cupellini L, Mennucci B. Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics. The Journal of Physical Chemistry. B. PMID 34476939 DOI: 10.1021/acs.jpcb.1c05753  0.783
2021 Nottoli M, Bondanza M, Lipparini F, Mennucci B. An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone. The Journal of Chemical Physics. 154: 184107. PMID 34241028 DOI: 10.1063/5.0046844  0.803
2021 Nottoli M, Cupellini L, Lipparini F, Granucci G, Mennucci B. Multiscale Models for Light-Driven Processes. Annual Review of Physical Chemistry. PMID 33561359 DOI: 10.1146/annurev-physchem-090419-104031  0.804
2020 Nottoli M, Lipparini F. General formulation of polarizable embedding models and of their coupling. The Journal of Chemical Physics. 153: 224108. PMID 33317291 DOI: 10.1063/5.0035165  0.802
2020 Cupellini L, Lipparini F, Cao J. Absorption and Circular Dichroism Spectra of Molecular Aggregates with the Full Cumulant Expansion. The Journal of Physical Chemistry. B. PMID 32901476 DOI: 10.1021/Acs.Jpcb.0C05180  0.695
2020 Nottoli M, Mennucci B, Lipparini F. Excited state Born-Oppenheimer molecular dynamics through coupling between time dependent DFT and AMOEBA. Physical Chemistry Chemical Physics : Pccp. PMID 32844823 DOI: 10.1039/D0Cp03688A  0.83
2020 Bondanza M, Nottoli M, Cupellini L, Lipparini F, Mennucci B. Polarizable embedding QM/MM: the future gold standard for complex (bio)systems? Physical Chemistry Chemical Physics : Pccp. PMID 32588851 DOI: 10.1039/D0Cp02119A  0.815
2020 Matthews DA, Cheng L, Harding ME, Lipparini F, Stopkowicz S, Jagau TC, Szalay PG, Gauss J, Stanton JF. Coupled-cluster techniques for computational chemistry: The CFOUR program package. The Journal of Chemical Physics. 152: 214108. PMID 32505146 DOI: 10.1063/5.0004837  0.307
2020 Macaluso V, Cupellini L, Salvadori G, Lipparini F, Mennucci B. Elucidating the role of structural fluctuations, and intermolecular and vibronic interactions in the spectroscopic response of a bacteriophytochrome. Physical Chemistry Chemical Physics : Pccp. PMID 32255458 DOI: 10.1039/D0Cp00372G  0.803
2020 Loos PF, Lipparini F, Boggio-Pasqua M, Scemama A, Jacquemin D. A Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Medium Size Molecules. Journal of Chemical Theory and Computation. PMID 31986042 DOI: 10.1021/Acs.Jctc.9B01216  0.399
2020 Polack E, Mikhalev A, Dusson G, Stamm B, Lipparini F. An approximation strategy to compute accurate initial density matrices for repeated self-consistent field calculations at different geometries Molecular Physics. DOI: 10.1080/00268976.2020.1779834  0.46
2020 Hashem S, Cupellini L, Lipparini F, Mennucci B. A polarisable QM/MM description of NMR chemical shifts of a photoreceptor protein Molecular Physics. DOI: 10.1080/00268976.2020.1771449  0.734
2020 Casotti G, Ciancaleoni G, Lipparini F, Nieri C, Iuliano A. Uncatalyzed conjugate addition of organozinc halides to enones in DME: a combined experimental/computational study on the role of the solvent and the reaction mechanism Chemical Science. 11: 257-263. DOI: 10.1039/C9Sc04820K  0.323
2020 Bondanza M, Cupellini L, Lipparini F, Mennucci B. The Multiple Roles of the Protein in the Photoactivation of Orange Carotenoid Protein Chem. 6: 187-203. DOI: 10.1016/J.Chempr.2019.10.014  0.767
2019 Loco D, Lagardère L, Cisneros GA, Scalmani G, Frisch M, Lipparini F, Mennucci B, Piquemal JP. Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings. Chemical Science. 10: 7200-7211. PMID 31588288 DOI: 10.1039/C9Sc01745C  0.83
2019 Nottoli M, Stamm B, Scalmani G, Lipparini F. Quantum calculations in solution of energies, structures and properties with a domain decomposition polarizable continuum model. Journal of Chemical Theory and Computation. PMID 31509412 DOI: 10.1021/Acs.Jctc.9B00640  0.811
2019 Lipparini F. General Linear Scaling Implementation of Polarizable Embedding Schemes. Journal of Chemical Theory and Computation. PMID 31348655 DOI: 10.1021/Acs.Jctc.9B00585  0.371
2019 Ren S, Lipparini F, Mennucci B, Caricato M. Coupled Cluster Theory with Induced-Dipole Polarizable Embedding for Ground and Excited States. Journal of Chemical Theory and Computation. PMID 31265278 DOI: 10.1021/Acs.Jctc.9B00468  0.707
2019 Cacelli I, Lipparini F, Greff da Silveira L, Jacobs M, Livotto PR, Prampolini G. Accurate interaction energies by spin component scaled Möller-Plesset second order perturbation theory calculations with optimized basis sets (SCS-MP2): Development and application to aromatic heterocycles. The Journal of Chemical Physics. 150: 234113. PMID 31228912 DOI: 10.1063/1.5094288  0.362
2019 Liu H, Jenkins AJ, Wildman A, Frisch MJ, Lipparini F, Mennucci B, Li X. Time-dependent Complete Active Space Embedded in Polarizable Force Field. Journal of Chemical Theory and Computation. PMID 30689381 DOI: 10.1021/Acs.Jctc.8B01152  0.69
2018 Wildman A, Donati G, Lipparini F, Mennucci B, Li X. Nonequilibrium Environment Dynamics in a Frequency-Dependent Polarizable Embedding Model. Journal of Chemical Theory and Computation. PMID 30512961 DOI: 10.1021/Acs.Jctc.8B00836  0.7
2018 Lagardère L, Jolly LH, Lipparini F, Aviat F, Stamm B, Jing ZF, Harger M, Torabifard H, Cisneros GA, Schnieders MJ, Gresh N, Maday Y, Ren PY, Ponder JW, Piquemal JP. Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields. Chemical Science. 9: 956-972. PMID 29732110 DOI: 10.1039/C7Sc04531J  0.818
2018 Caprasecca S, Cupellini L, Jurinovich S, Loco D, Lipparini F, Mennucci B. A polarizable QM/MM description of environment effects on NMR shieldings: from solvated molecules to pigment–protein complexes Theoretical Chemistry Accounts. 137. DOI: 10.1007/S00214-018-2264-6  0.804
2018 Stamm B, Lagardère L, Scalmani G, Gatto P, Cancès E, Piquemal J, Maday Y, Mennucci B, Lipparini F. How to make continuum solvation incredibly fast in a few simple steps: A practical guide to the domain decomposition paradigm for the conductor-like screening model International Journal of Quantum Chemistry. 119: e25669. DOI: 10.1002/Qua.25669  0.768
2017 Gatto P, Lipparini F, Stamm B. Computation of forces arising from the polarizable continuum model within the domain-decomposition paradigm. The Journal of Chemical Physics. 147: 224108. PMID 29246039 DOI: 10.1063/1.5008329  0.396
2017 Donati G, Wildman A, Caprasecca S, Lingerfelt DB, Lipparini F, Mennucci B, Li X. Coupling Real-Time Time-Dependent Density Functional Theory with Polarizable Force Field. The Journal of Physical Chemistry Letters. 5283-5289. PMID 28994290 DOI: 10.1021/Acs.Jpclett.7B02320  0.707
2017 Eriksen JJ, Lipparini F, Gauss J. Virtual Orbital Many-Body Expansions: A Possible Route Towards the Full Configuration Interaction Limit. The Journal of Physical Chemistry Letters. PMID 28892390 DOI: 10.1021/Acs.Jpclett.7B02075  0.363
2017 Loco D, Lagardère L, Caprasecca S, Lipparini F, Mennucci B, Piquemal JP. Hybrid QM/MM Molecular Dynamics with AMOEBA Polarizable Embedding. Journal of Chemical Theory and Computation. 13: 4025-4033. PMID 28759205 DOI: 10.1021/Acs.Jctc.7B00572  0.825
2017 Lipparini F, Kirsch T, Köhn A, Gauss J. Internally Contracted Multireference Coupled Cluster Calculations with a Spin-Free Dirac-Coulomb Hamiltonian: Application to the Monoxides of Titanium, Zirconium, and Hafnium. Journal of Chemical Theory and Computation. PMID 28609618 DOI: 10.1021/Acs.Jctc.7B00110  0.353
2016 Lipparini F, Gauss J. Cost-effective treatment of scalar relativistic effects for multireference systems: a CASSCF implementation based on the spin-free Dirac-Coulomb Hamiltonian. Journal of Chemical Theory and Computation. PMID 27464026 DOI: 10.1021/Acs.Jctc.6B00609  0.331
2016 Loco D, Polack É, Caprasecca S, Lagardère L, Lipparini F, Piquemal JP, Mennucci B. A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations. Journal of Chemical Theory and Computation. 12: 3654-61. PMID 27340904 DOI: 10.1021/Acs.Jctc.6B00385  0.813
2016 Lipparini F, Mennucci B. Perspective: Polarizable continuum models for quantum-mechanical descriptions. The Journal of Chemical Physics. 144: 160901. PMID 27131518 DOI: 10.1063/1.4947236  0.71
2016 Stamm B, Cancès E, Lipparini F, Maday Y. A new discretization for the polarizable continuum model within the domain decomposition paradigm. The Journal of Chemical Physics. 144: 054101. PMID 26851902 DOI: 10.1063/1.4940136  0.557
2016 Kratz EG, Walker AR, Lagardère L, Lipparini F, Piquemal JP, Andrés Cisneros G. LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields. Journal of Computational Chemistry. 37: 1019-29. PMID 26781073 DOI: 10.1002/Jcc.24295  0.765
2015 Caprasecca S, Jurinovich S, Lagardère L, Stamm B, Lipparini F. Achieving linear scaling in computational cost for a fully polarizable MM/continuum embedding. Journal of Chemical Theory and Computation. 11: 694-704. PMID 26579603 DOI: 10.1021/Ct501087M  0.729
2015 Lagardère L, Lipparini F, Polack É, Stamm B, Cancès É, Schnieders M, Ren P, Maday Y, Piquemal JP. Scalable evaluation of polarization energy and associated forces in polarizable molecular dynamics: II. Toward massively parallel computations using smooth particle mesh Ewald. Journal of Chemical Theory and Computation. 11: 2589-99. PMID 26575557 DOI: 10.1021/Acs.Jctc.5B00171  0.822
2015 Lipparini F, Lagardère L, Raynaud C, Stamm B, Cancès E, Mennucci B, Schnieders M, Ren P, Maday Y, Piquemal JP. Polarizable molecular dynamics in a polarizable continuum solvent. Journal of Chemical Theory and Computation. 11: 623-34. PMID 26516318 DOI: 10.1021/Ct500998Q  0.825
2015 Caprasecca S, Jurinovich S, Lagardère L, Stamm B, Lipparini F. Achieving linear scaling in computational cost for a fully polarizable MM/continuum embedding Journal of Chemical Theory and Computation. 11: 694-704. DOI: 10.1021/ct501087m  0.64
2015 Lipparini F, Lagardère L, Raynaud C, Stamm B, Cancès E, Mennucci B, Schnieders M, Ren P, Maday Y, Piquemal JP. Polarizable molecular dynamics in a polarizable continuum solvent Journal of Chemical Theory and Computation. 11: 623-634. DOI: 10.1021/ct500998q  0.802
2015 Lagardère L, Lipparini F, Polack É, Stamm B, Cancès É, Schnieders M, Ren P, Maday Y, Piquemal JP. Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II. Toward Massively Parallel Computations Using Smooth Particle Mesh Ewald Journal of Chemical Theory and Computation. 11: 2589-2599. DOI: 10.1021/acs.jctc.5b00171  0.779
2015 Gresh N, Chaudret R, David P, Hage KE, Narth C, Goldwaser E, Lagardère L, De Courcy B, Lipparini F, Piquemal JP. Addressing the issues of non-isotropy and non-additivity in the development of quantum chemistry-grounded polarizable molecular mechanics Quantum Modeling of Complex Molecular Systems. 1-49. DOI: 10.1007/978-3-319-21626-3_1  0.761
2014 Lagardère L, Lipparini F, Polack É, Stamm B, Cancès É, Schnieders M, Ren P, Maday Y, Piquemal JP. Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II.Towards Massively Parallel Computations using Smooth Particle Mesh Ewald. Journal of Chemical Theory and Computation. 10: 1638-1651. PMID 26512230 DOI: 10.1021/Ct401096T  0.822
2014 Lipparini F, Lagardère L, Scalmani G, Stamm B, Cancès E, Maday Y, Piquemal JP, Frisch MJ, Mennucci B. Quantum Calculations in Solution for Large to Very Large Molecules: A New Linear Scaling QM/Continuum Approach. The Journal of Physical Chemistry Letters. 5: 953-8. PMID 26270973 DOI: 10.1021/Jz5002506  0.824
2014 Lipparini F, Scalmani G, Lagardère L, Stamm B, Cancès E, Maday Y, Piquemal JP, Frisch MJ, Mennucci B. Quantum, classical, and hybrid QM/MM calculations in solution: general implementation of the ddCOSMO linear scaling strategy. The Journal of Chemical Physics. 141: 184108. PMID 25399133 DOI: 10.1063/1.4901304  0.822
2014 Lipparini F, Lagardère L, Scalmani G, Stamm B, Cancès E, Maday Y, Piquemal JP, Frisch MJ, Mennucci B. Quantum calculations in solution for large to very large molecules: A new linear scaling QM/continuum approach Journal of Physical Chemistry Letters. 5: 953-958. DOI: 10.1021/jz5002506  0.804
2014 Lipparini F, Lagardère L, Stamm B, Cancès E, Schnieders M, Ren P, Maday Y, Piquemal JP. Scalable evaluation of polarization energy and associated forces in polarizable molecular dynamics: I. Toward massively parallel direct space computations Journal of Chemical Theory and Computation. 10: 1638-1651. DOI: 10.1021/ct401096t  0.788
2013 Lipparini F, Stamm B, Cancès E, Maday Y, Mennucci B. Fast Domain Decomposition Algorithm for Continuum Solvation Models: Energy and First Derivatives. Journal of Chemical Theory and Computation. 9: 3637-48. PMID 26584117 DOI: 10.1021/Ct400280B  0.755
2013 Lipparini F, Egidi F, Cappelli C, Barone V. The Optical Rotation of Methyloxirane in Aqueous Solution: A Never Ending Story? Journal of Chemical Theory and Computation. 9: 1880-4. PMID 26583540 DOI: 10.1021/Ct400061Z  0.461
2013 Caricato M, Lipparini F, Scalmani G, Cappelli C, Barone V. Vertical Electronic Excitations in Solution with the EOM-CCSD Method Combined with a Polarizable Explicit/Implicit Solvent Model. Journal of Chemical Theory and Computation. 9: 3035-3042. PMID 26504458 DOI: 10.1021/Ct4003288  0.558
2013 Lipparini F, Cappelli C, Barone V. A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: general three-layer model, computational implementation and pilot applications. The Journal of Chemical Physics. 138: 234108. PMID 23802952 DOI: 10.1063/1.4811113  0.532
2013 Caricato M, Lipparini F, Scalmani G, Cappelli C, Barone V. Vertical electronic excitations in solution with the EOM-CCSD method combined with a polarizable explicit/implicit solvent model Journal of Chemical Theory and Computation. 9: 3035-3042. DOI: 10.1021/ct4003288  0.399
2013 Lipparini F, Stamm B, Cancès E, Maday Y, Mennucci B. Fast domain decomposition algorithm for continuum solvation models: Energy and first derivatives Journal of Chemical Theory and Computation. 9: 3637-3648. DOI: 10.1021/ct400280b  0.674
2012 Lipparini F, Cappelli C, Scalmani G, De Mitri N, Barone V. Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian. Journal of Chemical Theory and Computation. 8: 4270-4278. PMID 26605590 DOI: 10.1021/Ct300635C  0.469
2012 Lipparini F, Cappelli C, Barone V. Linear Response Theory and Electronic Transition Energies for a Fully Polarizable QM/Classical Hamiltonian. Journal of Chemical Theory and Computation. 8: 4153-4165. PMID 26605581 DOI: 10.1021/Ct3005062  0.569
2012 Cappelli C, Bloino J, Lipparini F, Barone V. Toward Ab Initio Anharmonic Vibrational Circular Dichroism Spectra in the Condensed Phase. The Journal of Physical Chemistry Letters. 3: 1766-73. PMID 26291857 DOI: 10.1021/Jz3006139  0.501
2012 Barone V, Baiardi A, Biczysko M, Bloino J, Cappelli C, Lipparini F. Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments. Physical Chemistry Chemical Physics : Pccp. 14: 12404-22. PMID 22772710 DOI: 10.1039/C2Cp41006K  0.717
2012 Cappelli C, Bloino J, Lipparini F, Barone V. Toward Ab initio anharmonic vibrational circular dichroism spectra in the condensed phase Journal of Physical Chemistry Letters. 3: 1766-1773. DOI: 10.1021/jz3006139  0.329
2012 Lipparini F, Cappelli C, Scalmani G, De Mitri N, Barone V. Analytical first and second derivatives for a fully polarizable QM/classical hamiltonian Journal of Chemical Theory and Computation. 8: 4270-4278. DOI: 10.1021/ct300635c  0.379
2012 Lipparini F, Cappelli C, Barone V. Linear response theory and electronic transition energies for a fully polarizable QM/classical hamiltonian Journal of Chemical Theory and Computation. 8: 4153-4165. DOI: 10.1021/ct3005062  0.378
2011 Lipparini F, Barone V. Polarizable Force Fields and Polarizable Continuum Model: A Fluctuating Charges/PCM Approach. 1. Theory and Implementation. Journal of Chemical Theory and Computation. 7: 3711-24. PMID 26598266 DOI: 10.1021/Ct200376Z  0.563
2011 Lipparini F, Scalmani G, Mennucci B, Frisch MJ. Self-Consistent Field and Polarizable Continuum Model: A New Strategy of Solution for the Coupled Equations. Journal of Chemical Theory and Computation. 7: 610-7. PMID 26596295 DOI: 10.1021/Ct1005906  0.661
2011 Cappelli C, Lipparini F, Bloino J, Barone V. Towards an accurate description of anharmonic infrared spectra in solution within the polarizable continuum model: reaction field, cavity field and nonequilibrium effects. The Journal of Chemical Physics. 135: 104505. PMID 21932908 DOI: 10.1063/1.3630920  0.522
2011 Cappelli C, Lipparini F, Bloino J, Barone V. Erratum: “Towards an accurate description of anharmonic infrared spectra in solution within the polarizable continuum model: Reaction field, cavity field and nonequilibrium effects” [J. Chem. Phys. 135, 104505 (2011)] The Journal of Chemical Physics. 135: 149901. DOI: 10.1063/1.3653267  0.459
2011 Lipparini F, Barone V. Polarizable force fields and polarizable continuum model: A fluctuating charges/PCM approach. 1. Theory and implementation Journal of Chemical Theory and Computation. 7: 3711-3724. DOI: 10.1021/ct200376z  0.421
2011 Lipparini F, Scalmani G, Mennucci B, Frisch MJ. Self-consistent field and polarizable continuum model: A new strategy of solution for the coupled equations Journal of Chemical Theory and Computation. 7: 610-617. DOI: 10.1021/ct1005906  0.58
2010 Lipparini F, Scalmani G, Mennucci B, Cancès E, Caricato M, Frisch MJ. A variational formulation of the polarizable continuum model. The Journal of Chemical Physics. 133: 014106. PMID 20614958 DOI: 10.1063/1.3454683  0.706
2010 Barone V, Bloino J, Guido CA, Lipparini F. A fully automated implementation of VPT2 Infrared intensities Chemical Physics Letters. 496: 157-161. DOI: 10.1016/J.Cplett.2010.07.012  0.436
2009 Lipparini F, Scalmani G, Mennucci B. Non covalent interactions in RNA and DNA base pairs: a quantum-mechanical study of the coupling between solvent and electronic density. Physical Chemistry Chemical Physics : Pccp. 11: 11617-23. PMID 20024434 DOI: 10.1039/B915898G  0.663
2007 Lipparini F, Mennucci B. Embedding effects on charge-transport parameters in molecular organic materials. The Journal of Chemical Physics. 127: 144706. PMID 17935422 DOI: 10.1063/1.2786459  0.641
Low-probability matches (unlikely to be authored by this person)
2013 Lipparini F, Egidi F, Cappelli C, Barone V. The optical rotation of methyloxirane in aqueous solution: A never ending story? Journal of Chemical Theory and Computation. 9: 1880-1884. DOI: 10.1021/ct400061z  0.293
2020 Lambros E, Lipparini F, Cisneros GA, Paesani F. A Many-Body, Fully Polarizable Approach to QM/MM Simulations. Journal of Chemical Theory and Computation. PMID 33213149 DOI: 10.1021/acs.jctc.0c00932  0.284
2020 Markus CR, Asvany O, Salomon T, Schmid PC, Brünken S, Lipparini F, Gauss J, Schlemmer S. Vibrational Excitation Hindering an Ion-Molecule Reaction: The c-C_{3}H_{2}^{+}-H_{2} Collision Complex. Physical Review Letters. 124: 233401. PMID 32603166 DOI: 10.1103/Physrevlett.124.233401  0.281
2020 Asvany O, Markus CR, Salomon T, Schmid PC, Banhatti S, Brünken S, Lipparini F, Gauss J, Schlemmer S. High-resolution rovibrational spectroscopy of c-C3H2+: The ν7 C–H antisymmetric stretching band Journal of Molecular Structure. 1214: 128023. DOI: 10.1016/J.Molstruc.2020.128023  0.267
2019 Brünken S, Lipparini F, Stoffels A, Jusko P, Redlich B, Gauss J, Schlemmer S. Gas-Phase Vibrational Spectroscopy of the Hydrocarbon Cations -CH, HCH and -CH: Structures, Isomers, and the Influence of Ne-tagging. The Journal of Physical Chemistry. A. PMID 31422660 DOI: 10.1021/Acs.Jpca.9B06176  0.265
2021 Loos PF, Matthews DA, Lipparini F, Jacquemin D. How accurate are EOM-CC4 vertical excitation energies? The Journal of Chemical Physics. 154: 221103. PMID 34241206 DOI: 10.1063/5.0055994  0.263
2022 Loos PF, Lipparini F, Matthews DA, Blondel A, Jacquemin D. A Mountaineering Strategy to Excited States: Revising Reference Values with EOM-CC4. Journal of Chemical Theory and Computation. PMID 35737466 DOI: 10.1021/acs.jctc.2c00416  0.248
2022 Nottoli T, Burger S, Stopkowicz S, Gauss J, Lipparini F. Computation of NMR shieldings at the CASSCF level using gauge-including atomic orbitals and Cholesky decomposition. The Journal of Chemical Physics. 157: 084122. PMID 36050000 DOI: 10.1063/5.0101838  0.246
2024 Zhang C, Lipparini F, Stopkowicz S, Gauss J, Cheng L. Cholesky Decomposition-Based Implementation of Relativistic Two-Component Coupled-Cluster Methods for Medium-Sized Molecules. Journal of Chemical Theory and Computation. PMID 38198515 DOI: 10.1021/acs.jctc.3c01236  0.235
2023 Nottoli T, Gauss J, Lipparini F. A novel coupled-cluster singles and doubles implementation that combines the exploitation of point-group symmetry and Cholesky decomposition of the two-electron integrals. The Journal of Chemical Physics. 159. PMID 38099541 DOI: 10.1063/5.0175956  0.229
2021 Nottoli T, Gauss J, Lipparini F. Second-Order CASSCF Algorithm with the Cholesky Decomposition of the Two-Electron Integrals. Journal of Chemical Theory and Computation. PMID 34719925 DOI: 10.1021/acs.jctc.1c00327  0.226
2022 Salomon T, Brackertz S, Asvany O, Savić I, Gerlich D, Harding ME, Lipparini F, Gauss J, van der Avoird A, Schlemmer S. The He-H complex. II. Infrared predissociation spectrum and energy term diagram. The Journal of Chemical Physics. 156: 144308. PMID 35428379 DOI: 10.1063/5.0087427  0.218
2021 Burger S, Lipparini F, Gauss J, Stopkowicz S. NMR chemical shift computations at second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals and Cholesky-decomposed two-electron integrals. The Journal of Chemical Physics. 155: 074105. PMID 34418917 DOI: 10.1063/5.0059633  0.211
2022 Harding ME, Lipparini F, Gauss J, Gerlich D, Schlemmer S, van der Avoird A. The He-H complex. I. Vibration-rotation-tunneling states and transition probabilities. The Journal of Chemical Physics. 156: 144307. PMID 35428397 DOI: 10.1063/5.0087357  0.21
2022 Górecki M, Lipparini F, Albano G, Jávorfi T, Hussain R, Siligardi G, Pescitelli G, Di Bari L. Electronic Circular Dichroism Imaging (ECDi) Casts a New Light on the Origin of Solid-State Chiroptical Properties. Chemistry (Weinheim An Der Bergstrasse, Germany). 28: e202103632. PMID 34935206 DOI: 10.1002/chem.202103632  0.207
2019 Casotti G, Ciancaleoni G, Lipparini F, Nieri C, Iuliano A. Uncatalyzed conjugate addition of organozinc halides to enones in DME: a combined experimental/computational study on the role of the solvent and the reaction mechanism. Chemical Science. 11: 257-263. PMID 34040720 DOI: 10.1039/c9sc04820k  0.188
2023 Loos PF, Lipparini F, Jacquemin D. Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet-Triplet Gap. The Journal of Physical Chemistry Letters. 14: 11069-11075. PMID 38048474 DOI: 10.1021/acs.jpclett.3c03042  0.186
2023 Alessandro R, Giannì I, Pes F, Nottoli T, Lipparini F. Linear Response Equations Revisited: A Simple and Efficient Iterative Algorithm. Journal of Chemical Theory and Computation. PMID 38081062 DOI: 10.1021/acs.jctc.3c00989  0.155
2021 Pollastrini M, Lipparini F, Pasquinelli L, Balzano F, Barretta GU, Pescitelli G, Angelici G. A Proline Mimetic for the Design of New Stable Secondary Structures: Solvent-Dependent Amide Bond Isomerization of ()-Indoline-2-carboxylic Acid Derivatives. The Journal of Organic Chemistry. PMID 34080867 DOI: 10.1021/acs.joc.1c00184  0.142
2024 Santalucia D, Bondanza M, Lipparini F, Ripszam M, Rossi N, Mandoli A. Breaking the Rules: On the Relative Stability of Some Methylencyclopropane and Methylcyclopropene Derivatives. Chemistry (Weinheim An Der Bergstrasse, Germany). e202400431. PMID 38483818 DOI: 10.1002/chem.202400431  0.12
1969 Lipparini F, de Carolis AS, Longo VG. A neuropharmacological investigation of some trans-tetrahydrocannabinol derivatives Physiology and Behavior. 4: 527-532.  0.034
1968 Tallarida G, Semprini A, Lipparini F, Leone G, Di Segni E, Condorelli M. [Research on the hypotensive activity of aqueous extracts of the renal medulla. Experimental study in rats]. Bollettino Della Società Italiana Di Biologia Sperimentale. 44: 353-6. PMID 5674606  0.029
2009 Lipparini F. Obscurity in modern poetry. A report on two recent books | L'oscurità nella poesia moderna. A proposito di due libri recenti Lettere Italiane. 61: 291-312.  0.028
1971 Peschle C, Sasso GF, Rossanigo F, Mastroberardino G, Lipparini F. [Studies of the extrarenal production of erythropoietin. Preliminary studies in bi-nephrectomized animals, exposed to hypoxia]. Rivista Di Medicina Aeronautica E Spaziale. 34: 24-31. PMID 5568022  0.028
1969 Scotti de Carolis A, Lipparini F, Longo VG. Neuropharmacological investigations on muscimol, a psychotropic drug extracted from Amanita muscaria. Psychopharmacologia. 15: 186-95. PMID 5389124 DOI: 10.1007/BF00411168  0.02
1967 Peschle C, Tallarida G, Semprini A, Spina C, Lipparini F, Condorelli M. [Study of the erythropoietic activity of hypotonic extracts of hog liver, spleen, heart and lung]. Bollettino Della Società Italiana Di Biologia Sperimentale. 43: 1795-9. PMID 5601956  0.018
1968 Semprini A, Tallarida G, Lipparini F, Peschle C, Di Segni E, Condorelli M. [Research on the antigenic specificity of renin. Behavior of the neutralization and agar precipitation reactions among rabbit immune serums, swine antirenin and rabbit renin]. Bollettino Della Società Italiana Di Biologia Sperimentale. 44: 369-73. PMID 5674608  0.016
1962 VANCINI B, FOSCARINI M, LIPPARINI F, MANZINI E. [Hemodynamic evaluations in hyperthyroidism]. Bollettino Della Società Italiana Di Cardiologia. 7: 152-7. PMID 13924673  0.011
1970 Lipparini F, De Carolis AS, Longo VG. [Electroencephalographic study of morphine tolerance and withdrawal phenomenin rats]. ThéRapie. 25: 929-37. PMID 5530406  0.01
1969 Florio V, Lipparini F, Scotti de Carolis A, Longo VG. EEG and behavioral effects of 2-5-methoxy-4-methyl-amphetamine (DOM, STP). Archives Internationales De Pharmacodynamie Et De ThéRapie. 180: 81-8. PMID 5357012  0.01
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