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Filippo Lipparini

centre for instrument sharing of the university of pisa

35H指数
171论文数
5.3K被引数
收录论文 80
发表时间
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Can CASSCF model the excited states of xanthophyll lutein? A density matrix renormalization group journeyCASSCF能否模拟叶黄素黄体素的激发态？一项密度矩阵重整化群研究
errPhysical Chemistry Chemical Physics
IF2.9
err2026-09-16
err0
PREAI
errIvan Giannì; Claudio Amovilli; Filippo Lipparini Corresponding Author; Laura Pedraza-González Corresponding Author
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Experimental Proof of Strong Π–Σ Mixing in the Renner–Teller and Pseudo-Jahn–Teller Affected CCH+ (3Π) Ion强Π–Σ混合在Renner–Teller和Pseudo-Jahn–Teller效应影响的CCH⁺ (³Π)离子中的实验证明
errThe Journal of Physical Chemistry Letters
IF0
err2026-04-08
err0
PREAI
errKim Steenbakkers; P. Bryan Changala; Weslley G. D. P. Silva; John F. Stanton; Filippo Lipparini; Jürgen Gauss; Oskar Asvany; Gerrit C. Groenenboom; Britta Redlich; Stephan Schlemmer; Sandra Brünken
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Solvation Lies Within: Simulating Condensed-Phase Properties from Local Electronic Structures溶剂化源于内部：从局域电子结构模拟凝聚相性质
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-04
err0
PREAI
errKasper F. Schaltz; Jonas Greiner; Filippo Lipparini; Janus J. Eriksen
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A Novel Implementation of CCSD Analytic Gradients Using Cholesky Decomposition of the Two-Electron Integrals and Abelian Point-Group Symmetry一种基于两电子积分的Cholesky分解和Abelian点群对称性的CCSD解析梯度的新实现
errThe Journal of Physical Chemistry A
IF2.8
err2026-03-02
err0
errOAAI
errLuca Melega; Tommaso Nottoli; Jürgen Gauss; Filippo Lipparini
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Multicomponent Synthesis on a Diiron Platform of Stable Ferrabenzenes with Promising Anticancer Activity在双铁平台上的多组分合成具有良好抗癌活性的稳定铁苯类化合物
errAngewandte Chemie International Edition
IF16.9
err2025-10-09
err0
PREAI
errSara Benetti; Dr. Tommaso Nottoli; Zhimei Xiao; Dr. Tiziana Funaioli; Prof. Dr. Stefano Zacchini; Prof. Dr. Gilles Gasser; Prof. Dr. Filippo Lipparini; Prof. Dr. Fabio Marchetti
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An Efficient and Robust Implementation of CASSCF Linear Response TheoryCASSCF线性响应理论的高效且稳健的实现
errJOURNAL OF PHYSICAL CHEMISTRY A
IF2.8
err2025-08-01
err0
PREAI
errNottoli, Tommaso; Lapi, Lorenzo; Alessandro, Riccardo; Gianni, Ivan; Pes, Federica; Lipparini, Filippo
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Extending the MST Model to Large Biomolecular Systems: Parametrization of the ddCOSMO-MST Continuum Solvation Model
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-01-11
err0
PREAI
errCunha, R. D.; Romero-Tellez, S.; Lipparini, F.; Luque, F. J.; Curutchet, C.
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A Polarizable CASSCF/MM Approach Using the Interface Between OpenMMPol Library and Cfour使用OpenMMPol库和Cfour之间的接口的可极化CASSCF/MM方法
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-12-24
err1
errOAAI
errNottoli, Tommaso; Bondanza, Mattia; Lipparini, Filippo; Mennucci, Benedetta
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Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/GW, and Wave Function Methods有机发色团的参考CC3激发能: 基准测试td-dft，BSE/GW和波函数方法
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-09-05
err4
PREAI
errKnysh, Iryna; Lipparini, Filippo; Blondel, Aymeric; Duchemin, Ivan; Blase, Xavier; Loos, Pierre-Francois; Jacquemin, Denis
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ddX: Polarizable continuum solvation from small molecules to proteins
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2024-07-31
err0
errOAAI
errNottoli, Michele; Herbst, Michael F.; Mikhalev, Aleksandr; Jha, Abhinav; Lipparini, Filippo; Stamm, Benjamin
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Raman, surface-enhanced Raman and density functional theory analyses of poorly soluble pharmaceuticals in water
errMICROCHEMICAL JOURNAL
IF5.1
err2024-07-01
err0
errOAAI
errD'Arcangelo, Giacomo; Legnaioli, Stefano; Lipparini, Filippo; Campanella, Beatrice
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MBE-CASSCF Approach for the Accurate Treatment of Large Active Spaces
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-29
err4
errOAAI
errGreiner, Jonas; Gianni, Ivan; Nottoli, Tommaso; Lipparini, Filippo; Eriksen, Janus J.; Gauss, Jurgen
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Breaking the Rules: On the Relative Stability of Some Methylencyclopropane and Methylcyclopropene Derivatives.
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2024-04-10
err0
PREAI
errSantalucia, Delio; Bondanza, Mattia; Lipparini, Filippo; Ripszam, Matyas; Rossi, Nicolo; Mandoli., Alessandro
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The OpenMMPol library for polarizable QM/MM calculations of properties and dynamicsOpenMMPol库，用于可极化QM/MM的性质和动力学计算
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-04-01
err2
errOAAI
errBondanza, Mattia; Nottoli, Tommaso; Nottoli, Michele; Cupellini, Lorenzo; Lipparini, Filippo; Mennucci, Benedetta
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Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine用量子力学/分子力学半经典振动光谱法解开水溶剂化效应: 胸苷的情况
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-03-12
err5
errOAAI
errMoscato, Davide; Mandelli, Giacomo; Bondanza, Mattia; Lipparini, Filippo; Conte, Riccardo; Mennucci, Benedetta; Ceotto, Michele
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Cholesky Decomposition-Based Implementation of Relativistic Two-Component Coupled-Cluster Methods for Medium-Sized Molecules
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-01-10
err6
errOAAI
errZhang, Chaoqun; Lipparini, Filippo; Stopkowicz, Stella; Gauss, Juergen; Cheng, Lan
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A novel coupled-cluster singles and doubles implementation that combines the exploitation of point-group symmetry and Cholesky decomposition of the two-electron integrals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-12-15
err4
errOAAI
errNottoli, Tommaso; Gauss, Juergen; Lipparini, Filippo
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Linear Response Equations Revisited: A Simple and Efficient Iterative Algorithm
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-12-11
err3
errOAAI
errAlessandro, Riccardo; Gianni, Ivan; Pes, Federica; Nottoli, Tommaso; Lipparini, Filippo
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QM/AMOEBA description of properties and dynamics of embedded molecules嵌入分子的性质和动力学的QM/阿米巴描述
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2023-06-08
err14
errOAAI
errNottoli, Michele; Bondanza, Mattia; Mazzeo, Patrizia; Cupellini, Lorenzo; Curutchet, Carles; Loco, Daniele; Lagardere, Louis; Piquemal, Jean-Philip; Mennucci, Benedetta; Lipparini, Filippo
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A Unique and Stable Polyproline I Helix Sorted out from Conformational Equilibrium by Solvent Polarity
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2022-10-15
err8
errOAAI
errPollastrini, Matteo; Pasquinelli, Luca; Gorecki, Marcin; Balzano, Federica; Cupellini, Lorenzo; Lipparini, Filippo; Barretta, Gloria Uccello; Marchetti, Fabio; Pescitelli, Gennaro; Angelici, Gaetano
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研究方向

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合作期刊
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Vincenzo Barone
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H 指数: 88 · 论文数: 1.0K
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Jürgen Gauß
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John F. Stanton
H 指数: 84 · 论文数: 861
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