Antonio Monari - Publications

Affiliations: 
University of Lorraine 

159 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 Diez-Cabanes V, Monari A, Pastore M. Competition between the Photothermal Effect and Emission in Potential Phototherapy Agents. The Journal of Physical Chemistry. B. PMID 34323496 DOI: 10.1021/acs.jpcb.1c03977  1
2021 Hognon C, Monari A. Staring at the Naked Goddess: Unraveling the Structure and Reactivity of Artemis Endonuclease Interacting with a DNA Double Strand. Molecules (Basel, Switzerland). 26. PMID 34210101 DOI: 10.3390/molecules26133986  1
2021 Pecourneau J, Losantos R, Monari A, Parant S, Pasc A, Mourer M. Synthesis and Photoswitching Properties of Bioinspired Dissymmetric γ-Pyrone, an Analogue of Cyclocurcumin. The Journal of Organic Chemistry. 86: 8112-8126. PMID 34101450 DOI: 10.1021/acs.joc.1c00598  1
2021 Bignon E, Gillet N, Chan CH, Jiang T, Monari A, Dumont E. Recognition of a tandem lesion by DNA bacterial formamidopyrimidine glycosylases explored combining molecular dynamics and machine learning. Computational and Structural Biotechnology Journal. 19: 2861-2869. PMID 34093997 DOI: 10.1016/j.csbj.2021.04.055  1
2021 Losantos R, Pecourneau J, Mourer M, Parant S, Pasc A, Monari A. Photoisomerization of a biomimetic cyclocurcumin analogue rationalized by molecular modelling. Physical Chemistry Chemical Physics : Pccp. 23: 12842-12849. PMID 34060574 DOI: 10.1039/d1cp01224j  1
2021 Sellaoui L, Badawi M, Monari A, Tatarchuk T, Jemli S, Luiz Dotto G, Bonilla-Petriciolet A, Chen Z. Make it clean, make it safe: A review on virus elimination via adsorption. Chemical Engineering Journal (Lausanne, Switzerland : 1996). 412: 128682. PMID 33776550 DOI: 10.1016/j.cej.2021.128682  0.01
2021 Burganov T, Katsyuba S, Monari A, Kalinin A, Sharipova S, Assfeld X. Stimuli-responsive emission of quinoxalinone-based compounds. From experimental findings to theoretical insight by means of multiscale computational spectroscopy approaches Dyes and Pigments. 184: 108797. DOI: 10.1016/J.Dyepig.2020.108797  1
2020 Lineros-Rosa M, Cuquerella MC, Francés-Monerris A, Monari A, Miranda MA, Lhiaubet-Vallet V. Triplet stabilization for enhanced drug photorelease from sunscreen-based photocages. Organic & Biomolecular Chemistry. PMID 33355577 DOI: 10.1039/d0ob02244f  1
2020 Darari M, Francés-Monerris A, Marekha B, Doudouh A, Wenger E, Monari A, Haacke S, Gros PC. Towards Iron(II) Complexes with Octahedral Geometry: Synthesis, Structure and Photophysical Properties. Molecules (Basel, Switzerland). 25. PMID 33348914 DOI: 10.3390/molecules25245991  1
2020 Lineros-Rosa M, Francés-Monerris A, Monari A, Miranda MA, Lhiaubet-Vallet V. Experimental and theoretical studies on thymine photodimerization mediated by oxidatively generated DNA lesions and epigenetic intermediates. Physical Chemistry Chemical Physics : Pccp. PMID 33169771 DOI: 10.1039/d0cp04557h  1
2020 Francés-Monerris A, Hognon C, Miclot T, García-Iriepa C, Iriepa I, Terenzi A, Grandemange S, Barone G, Marazzi M, Monari A. Molecular Basis of SARS-CoV-2 Infection and Rational Design of Potential Antiviral Agents: Modeling and Simulation Approaches. Journal of Proteome Research. PMID 33119313 DOI: 10.1021/acs.jproteome.0c00779  1
2020 García-Iriepa C, Hognon C, Francés-Monerris A, Iriepa I, Miclot T, Barone G, Monari A, Marazzi M. Thermodynamics of the Interaction between the Spike Protein of Severe Acute Respiratory Syndrome Coronavirus-2 and the Receptor of Human Angiotensin-Converting Enzyme 2. Effects of Possible Ligands. The Journal of Physical Chemistry Letters. 9272-9281. PMID 33085491 DOI: 10.1021/acs.jpclett.0c02203  1
2020 Hammoudi NE, Benguerba Y, Attoui A, Hognon C, Lemaoui T, Sobhi W, Benaicha M, Badawi M, Monari A. drug discovery of IKK-β inhibitors from 2-amino-3-cyano-4-alkyl-6-(2-hydroxyphenyl) pyridine derivatives based on QSAR, docking, molecular dynamics and drug-likeness evaluation studies. Journal of Biomolecular Structure & Dynamics. 1-17. PMID 32948119 DOI: 10.1080/07391102.2020.1819878  1
2020 Matoušková E, Bignon E, Claerbout VEP, Dršata T, Gillet N, Monari A, Dumont E, Lankaš F. Impact of the Nucleosome Histone Core on the Structure and Dynamics of DNA-Containing Pyrimidine-Pyrimidone (6-4) Photoproduct. Journal of Chemical Theory and Computation. PMID 32810397 DOI: 10.1021/Acs.Jctc.0C00593  1
2020 Bouché M, Hognon C, Grandemange S, Monari A, Gros PC. Recent advances in iron-complexes as drug candidates for cancer therapy: reactivity, mechanism of action and metabolites. Dalton Transactions (Cambridge, England : 2003). PMID 32776052 DOI: 10.1039/D0Dt02135K  1
2020 Aslanoglu B, Yakavets I, Zorin V, Lassalle HP, Ingrosso F, Monari A, Catak S. Optical properties of photodynamic therapy drugs in different environments: the paradigmatic case of temoporfin. Physical Chemistry Chemical Physics : Pccp. PMID 32672774 DOI: 10.1039/D0Cp02055A  1
2020 Diez-Cabanes V, Prampolini G, Francés-Monerris A, Monari A, Pastore M. Iron's Wake: The Performance of Quantum Mechanical-Derived Versus General-Purpose Force Fields Tested on a Luminescent Iron Complex. Molecules (Basel, Switzerland). 25. PMID 32640764 DOI: 10.3390/Molecules25133084  1
2020 Jaiswal VK, Segarra-Martí J, Marazzi M, Zvereva E, Assfeld X, Monari A, Garavelli M, Rivalta I. First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases. Physical Chemistry Chemical Physics : Pccp. PMID 32602504 DOI: 10.1039/D0Cp01823F  1
2020 Francés-Monerris A, Hognon C, Douki T, Monari A. Photoinduced DNA Lesions in Dormant Bacteria. The Peculiar Route Leading to Spore Photoproduct Characterized by Multiscale Molecular Dynamics. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32597544 DOI: 10.1002/Chem.202002484  1
2020 Hognon C, Miclot T, Garcia-Iriepa C, Francés-Monerris A, Grandemange S, Terenzi A, Marazzi M, Barone G, Monari A. Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses. The Journal of Physical Chemistry Letters. PMID 32536162 DOI: 10.1021/Acs.Jpclett.0C01097  1
2020 Semmeq A, Hasnaoui A, Badawi M, Ouaskit SM, Monari A. DNA Nucleobase Under Ionizing Radiation: Unexpected Proton Transfer by Thymine Cation in Water Nanodroplets. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32511805 DOI: 10.1002/Chem.202002025  0.08
2020 Burganov TI, Katsyuba SA, Islamova LN, Fazleeva GM, Sharipova SM, Kalinin AA, Dobrynin AB, Monari A, Assfeld X. Characterization of Conjugation Effects in the Series of Quinoxaline-2-ones by Means of Vibrational Raman Spectroscopy. The Journal of Physical Chemistry. A. PMID 32285672 DOI: 10.1021/Acs.Jpca.0C01838  1
2020 Francés-Monerris A, Lineros-Rosa M, Miranda MA, Lhiaubet-Vallet V, Monari A. Photoinduced intersystem crossing in DNA oxidative lesions and epigenetic intermediates. Chemical Communications (Cambridge, England). PMID 32239074 DOI: 10.1039/D0Cc01132K  1
2020 Mai S, Menger MFSJ, Marazzi M, Stolba DL, Monari A, González L. Competing ultrafast photoinduced electron transfer and intersystem crossing of [Re(CO) (Dmp)(His124)(Trp122)] in azurin: a nonadiabatic dynamics study. Theoretical Chemistry Accounts. 139: 65. PMID 32214889 DOI: 10.1007/S00214-020-2555-6  1
2020 Marazzi M, Francés-Monerris A, Mourer M, Pasc A, Monari A. Trans-to-cis photoisomerization of cyclocurcumin in different environments rationalized by computational photochemistry. Physical Chemistry Chemical Physics : Pccp. PMID 32057038 DOI: 10.1039/C9Cp06565B  1
2020 Kucur O, Turan HT, Monari A, Aviyente V. Computational Study of Photo-oxidative Degradation Mechanisms of Boron-Containing Oligothiophenes. The Journal of Physical Chemistry. A. PMID 31999922 DOI: 10.1021/Acs.Jpca.9B07858  0.01
2020 Francés-Monerris A, Garcia-Iriepa C, Iriepa I, Hognon C, Miclot T, Barone G, Monari A, Marazzi M. Has Ivermectin Virus-Directed Effects against SARS-CoV-2? Rationalizing the Action of a Potential Multitarget Antiviral Agent Chemrxiv. DOI: 10.26434/Chemrxiv.12782258.V1  1
2020 Magra K, Darari M, Domenichini E, Francés-Monerris A, Cebrian C, Beley M, Pastore M, Monari A, Assfeld X, Haacke S, Gros PC. Photophysical Investigation of Iron(II) Complexes Bearing Bidentate Annulated Isomeric Pyridine-NHC Ligands Journal of Physical Chemistry C. 124: 18379-18389. DOI: 10.1021/Acs.Jpcc.0C03638  1
2019 Hognon C, Garaude S, Timmins J, Chipot C, Dehez F, Monari A. Molecular Bases of DNA Packaging in Bacteria Revealed by All-Atom Molecular Dynamics Simulations: The Case of Histone-Like Proteins in . The Journal of Physical Chemistry Letters. 7200-7207. PMID 31693374 DOI: 10.1021/Acs.Jpclett.9B02978  1
2019 Terenzi A, Gattuso H, Spinello A, Keppler BK, Chipot C, Dehez F, Barone G, Monari A. Targeting G-quadruplexes with Organic Dyes: Chelerythrine-DNA Binding Elucidated by Combining Molecular Modeling and Optical Spectroscopy. Antioxidants (Basel, Switzerland). 8. PMID 31658666 DOI: 10.3390/Antiox8100472  1
2019 Marazzi M, Gattuso H, Giussani A, Hong Z, Navarrete-Miguel M, Chipot C, Cai W, Roca-Sanjuán D, Dehez F, Monari A. Induced Night-Vision by Singlet-Oxygen-Mediated Activation of Rhodopsin. The Journal of Physical Chemistry Letters. PMID 31652065 DOI: 10.1021/Acs.Jpclett.9B02911  1
2019 Chan CH, Monari A, Ravanat JL, Dumont E. Probing interaction of a trilysine peptide with DNA underlying formation of guanine-lysine cross-links: insights from molecular dynamics. Physical Chemistry Chemical Physics : Pccp. PMID 31624816 DOI: 10.1039/C9Cp04708E  1
2019 Francés-Monerris A, Tuñón I, Monari A. Hypoxia-Selective Dissociation Mechanism of a Nitroimidazole Nucleoside in a DNA Environment. The Journal of Physical Chemistry Letters. 6750-6754. PMID 31609626 DOI: 10.1021/Acs.Jpclett.9B02760  1
2019 Hognon C, Gebus A, Barone G, Monari A. Human DNA Telomeres in Presence of Oxidative Lesions: The Crucial Role of Electrostatic Interactions on the Stability of Guanine Quadruplexes. Antioxidants (Basel, Switzerland). 8. PMID 31443537 DOI: 10.3390/Antiox8090337  1
2019 Semmeq A, Monari A, Badawi M, Ouaskit S. Ab initio study of the stepwise vs concerted fragmentation pathways in microhydrated thymine radical cations. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31373410 DOI: 10.1002/Chem.201902462  0.16
2019 Vucko T, Pétry N, Dehez F, Lambert A, Monari A, Lakomy C, Lacolley P, Regnault V, Collet C, Karcher G, Pellegrini-Moïse N, Lamandé-Langle S. C-glyco"RGD" as αβ and αβ integrin ligands for imaging applications: Synthesis, in vitro evaluation and molecular modeling. Bioorganic & Medicinal Chemistry. PMID 31371219 DOI: 10.1016/J.Bmc.2019.07.039  1
2019 Hognon C, Besancenot V, Gruez A, Grandemange S, Monari A. "All in All It's Just Another Brick in the Wall" Cooperative Effects of Cytosine Methylation on DNA Structure and Dynamics. The Journal of Physical Chemistry. B. PMID 31365827 DOI: 10.1021/Acs.Jpcb.9B05835  1
2019 Burganov TI, Monari A, Katsyuba SA, Mamedov VA, Zhukova NA, Assfeld X. 2,3-(Dibenzimidazol-2-Yl)Quinoxalines: Unexpected Dynamical Effect on Steady-State Electronic Absorption Spectra. The Journal of Physical Chemistry. B. PMID 31192599 DOI: 10.1021/Acs.Jpcb.9B00974  1
2019 Darari M, Domenichini E, Francés-Monerris A, Cebrián C, Magra K, Beley M, Pastore M, Monari A, Assfeld X, Haacke S, Gros PC. Iron(ii) complexes with diazinyl-NHC ligands: impact of π-deficiency of the azine core on photophysical properties. Dalton Transactions (Cambridge, England : 2003). PMID 31149683 DOI: 10.1039/C9Dt01731C  1
2019 Sarre A, Stelter M, Rollo F, De Bonis S, Seck A, Hognon C, Ravanat JL, Monari A, Dehez F, Moe E, Timmins J. The three Endonuclease III variants of Deinococcus radiodurans possess distinct and complementary DNA repair activities. Dna Repair. 78: 45-59. PMID 30959406 DOI: 10.1016/J.Dnarep.2019.03.014  1
2019 Magra K, Domenichini E, Francés-Monerris A, Cebrián C, Beley M, Darari M, Pastore M, Monari A, Assfeld X, Haacke S, Gros PC. Impact of the fac/ mer Isomerism on the Excited-State Dynamics of Pyridyl-carbene Fe(II) Complexes. Inorganic Chemistry. PMID 30950264 DOI: 10.1021/Acs.Inorgchem.9B00138  1
2019 Semmeq A, Ouaskit S, Monari A, Badawi M. Ionization and fragmentation of uracil upon microhydration. Physical Chemistry Chemical Physics : Pccp. 21: 4810-4821. PMID 30773577 DOI: 10.1039/C8Cp07452F  0.01
2018 Francés-Monerris A, Gattuso H, Roca-Sanjuán D, Tuñón I, Marazzi M, Dumont E, Monari A. Dynamics of the excited-state hydrogen transfer in a (dG)·(dC) homopolymer: intrinsic photostability of DNA. Chemical Science. 9: 7902-7911. PMID 30450180 DOI: 10.1039/C8Sc03252A  1
2018 Mai S, Gattuso H, Monari A, González L. Novel Molecular-Dynamics-Based Protocols for Phase Space Sampling in Complex Systems. Frontiers in Chemistry. 6: 495. PMID 30386775 DOI: 10.3389/Fchem.2018.00495  1
2018 Marazzi M, Gattuso H, Fumanal M, Daniel C, Monari A. Charge transfer vs. charge separated triplet excited states of [ReI(dmp)(CO)3(His124)(Trp122)] in water and in modified pseudomonas aeruginosa azurin protein. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30379366 DOI: 10.1002/Chem.201803685  1
2018 Francés-Monerris A, Hognon C, Miranda MA, Lhiaubet-Vallet V, Monari A. Triplet photosensitization mechanism of thymine by an oxidized nucleobase: from a dimeric model to DNA environment. Physical Chemistry Chemical Physics : Pccp. PMID 30298156 DOI: 10.1039/C8Cp04866E  1
2018 Zhang H, Fu H, Shao X, Chipot C, Monari A, Dehez F, Cai W. Conformational changes of DNA induced by a trans-azobenzene derivative via non-covalent interactions. Physical Chemistry Chemical Physics : Pccp. PMID 30132482 DOI: 10.1039/C8Cp03836H  1
2018 Schnappinger T, Marazzi M, Mai S, Monari A, Gonzalez L, de Vivie-Riedle R. Intersystem crossing as a key component of the non-adiabatic relaxation dynamics of bithiophene and terthiophene. Journal of Chemical Theory and Computation. PMID 30091911 DOI: 10.1021/Acs.Jctc.8B00492  1
2018 Francés-Monerris A, Magra K, Darari M, Cebrián C, Beley M, Domenichini E, Haacke S, Pastore M, Assfeld X, Gros PC, Monari A. Synthesis and Computational Study of a Pyridylcarbene Fe(II) Complex: Unexpected Effects of fac/ mer Isomerism in Metal-to-Ligand Triplet Potential Energy Surfaces. Inorganic Chemistry. PMID 30063338 DOI: 10.1021/Acs.Inorgchem.8B01695  1
2018 Daniel C, Fumanal M, Vela S, Gattuso H, Monari A. Absorption Spectroscopy and Photophysics of a Re(I)-dppz probe for DNA-mediated Charge Transport. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29949217 DOI: 10.1002/Chem.201801980  1
2018 Marazzi M, Gattuso H, Monari A, Assfeld X. Steady-State Linear and Non-linear Optical Spectroscopy of Organic Chromophores and Bio-macromolecules. Frontiers in Chemistry. 6: 86. PMID 29666792 DOI: 10.3389/Fchem.2018.00086  1
2018 Segarra-Martí J, Zvereva EE, Marazzi M, Brazard J, Dumont E, Assfeld X, Haacke S, Garavelli M, Monari A, Léonard J, Rivalta I. Resolving the singlet excited states manifold of benzophenone by first-principles simulations and ultrafast spectroscopy. Journal of Chemical Theory and Computation. PMID 29614854 DOI: 10.1021/Acs.Jctc.7B01208  1
2018 Zvereva E, Segarra-Martí J, Marazzi M, Brazard J, Nenov A, Weingart O, Léonard J, Garavelli M, Rivalta I, Dumont E, Assfeld X, Haacke S, Monari A. The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. PMID 29383356 DOI: 10.1039/C7Pp00439G  1
2018 Zhang H, Gattuso H, Dumont E, Cai W, Monari A, Chipot C, Dehez F. Accurate Estimation of the Standard Binding Free Energy of Netropsin with DNA. Molecules (Basel, Switzerland). 23. PMID 29370096 DOI: 10.3390/Molecules23020228  1
2017 Dalpiaz A, Ferretti V, Bertolasi V, Pavan B, Monari A, Pastore M. From physical mixtures to co-crystals: how the coformers can modify solubility and biological activity of carbamazepine. Molecular Pharmaceutics. PMID 29164899 DOI: 10.1021/Acs.Molpharmaceut.7B00899  1
2017 Mai S, Gattuso H, Fumanal M, Muñoz-Losa A, Monari A, Daniel C, González L. Excited-states of a rhenium carbonyl diimine complex: solvation models, spin-orbit coupling, and vibrational sampling effects. Physical Chemistry Chemical Physics : Pccp. PMID 28984331 DOI: 10.1039/C7Cp05126C  1
2017 Schnappinger T, Kölle P, Marazzi M, Monari A, González L, de Vivie-Riedle R. Ab initio molecular dynamics of thiophene: the interplay of internal conversion and intersystem crossing. Physical Chemistry Chemical Physics : Pccp. PMID 28905947 DOI: 10.1039/C7Cp05061E  1
2017 Bignon E, Marazzi M, Besancenot V, Gattuso H, Drouot G, Morell C, Eriksson LA, Grandemange S, Dumont E, Monari A. Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization process. Scientific Reports. 7: 8885. PMID 28827702 DOI: 10.1038/S41598-017-09406-8  1
2017 Gattuso H, Marazzi M, Dehez F, Monari A. Deciphering the photosensitization mechanisms of hypericin towards biological membranes. Physical Chemistry Chemical Physics : Pccp. PMID 28820528 DOI: 10.1039/C7Cp03723F  1
2017 Bignon E, Chan CH, Morell C, Monari A, Ravanat JL, Dumont E. Molecular Dynamics Insights into Polyamine-DNA Binding Modes: Implications for Cross-Link Selectivity. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28815856 DOI: 10.1002/Chem.201702065  1
2017 Marazzi M, Besancenot V, Gattuso H, Lassalle HP, Grandemange S, Monari A. Photophysics of the Singlet Oxygen Sensor Green Chromophore: Self-Production of (1)O2 Explained by Molecular Modelling. The Journal of Physical Chemistry. B. PMID 28735538 DOI: 10.1021/Acs.Jpcb.7B04383  1
2017 Pastore M, Assfeld X, Mosconi E, Monari A, Etienne T. Unveiling the nature of post-linear response Z-vector method for time-dependent density functional theory. The Journal of Chemical Physics. 147: 024108. PMID 28711042 DOI: 10.1063/1.4991561  1
2017 Gattuso H, García-Iriepa C, Sampedro D, Monari A, Marazzi M. Simulating the Electronic Circular Dichroism Spectra of Photo-Reversible Peptide Conformations. Journal of Chemical Theory and Computation. PMID 28548847 DOI: 10.1021/Acs.Jctc.7B00163  1
2017 Dehez F, Gattuso H, Bignon E, Morell C, Dumont E, Monari A. Conformational polymorphism or structural invariance in DNA photoinduced lesions: implications for repair rates. Nucleic Acids Research. PMID 28334906 DOI: 10.1093/Nar/Gkx148  1
2016 Gattuso H, Dumont E, Chipot C, Monari A, Dehez F. Thermodynamics of DNA: sensitizer recognition. Characterizing binding motifs with all-atom simulations. Physical Chemistry Chemical Physics : Pccp. PMID 27892573 DOI: 10.1039/C6Cp06078A  1
2016 Pastore M, Duchanois T, Liu L, Monari A, Assfeld X, Haacke S, Gros PC. Interfacial charge separation and photovoltaic efficiency in Fe(ii)-carbene sensitized solar cells. Physical Chemistry Chemical Physics : Pccp. PMID 27711638 DOI: 10.1039/C6Cp05535D  1
2016 Gattuso H, Durand E, Bignon E, Morell C, Georgakilas AG, Dumont E, Chipot C, Dehez F, Monari A. Repair Rate of Clustered Abasic DNA Lesions by Human Endonuclease: Molecular Bases of Sequence Specificity. The Journal of Physical Chemistry Letters. PMID 27612215 DOI: 10.1021/Acs.Jpclett.6B01692  1
2016 Bignon E, Gattuso H, Morell C, Dehez F, Georgakilas AG, Monari A, Dumont E. Correlation of bistranded clustered abasic DNA lesion processing with structural and dynamic DNA helix distortion. Nucleic Acids Research. PMID 27587587 DOI: 10.1093/Nar/Gkw773  1
2016 Gattuso H, Dumont E, Marazzi M, Monari A. Two-photon-absorption DNA sensitization via solvated electron production: unraveling photochemical pathways by molecular modeling and simulation. Physical Chemistry Chemical Physics : Pccp. PMID 27345613 DOI: 10.1039/C6Cp02592G  1
2016 Gattuso H, Besancenot V, Grandemange S, Marazzi M, Monari A. From non-covalent binding to irreversible DNA lesions: nile blue and nile red as photosensitizing agents. Scientific Reports. 6: 28480. PMID 27329409 DOI: 10.1038/Srep28480  1
2016 Liu L, Duchanois T, Etienne T, Monari A, Beley M, Assfeld X, Haacke S, Gros PC. A new record excited state (3)MLCT lifetime for metalorganic iron(ii) complexes. Physical Chemistry Chemical Physics : Pccp. PMID 27086578 DOI: 10.1039/C6Cp01418F  1
2016 Gattuso H, Spinello A, Terenzi A, Assfeld X, Barone G, Monari A. Circular Dichroism of DNA G-Quadruplexes: Combining Modeling and Spectroscopy to Unravel Complex Structures. The Journal of Physical Chemistry. B. PMID 26943487 DOI: 10.1021/Acs.Jpcb.6B00634  1
2016 Marazzi M, Wibowo M, Gattuso H, Dumont E, Roca-Sanjuán D, Monari A. Hydrogen abstraction by photoexcited benzophenone: consequences for DNA photosensitization. Physical Chemistry Chemical Physics : Pccp. PMID 26911193 DOI: 10.1039/C5Cp07938A  1
2016 Marazzi M, Mai S, Roca-Sanjuán D, Delcey MG, Lindh R, González L, Monari A. Benzophenone Ultrafast Triplet Population: Revisiting the Kinetic Model by Surface-Hopping Dynamics. The Journal of Physical Chemistry Letters. 7: 622-6. PMID 26821061 DOI: 10.1021/Acs.Jpclett.5B02792  1
2016 Marazzi M, Mai S, Roca-Sanjuán D, Delcey MG, Lindh R, González L, Monari A. Benzophenone Ultrafast Triplet Population: Revisiting the Kinetic Model by Surface-Hopping Dynamics Journal of Physical Chemistry Letters. 7: 622-626. DOI: 10.1021/acs.jpclett.5b02792  1
2016 Marazzi M, Gattuso H, Monari A. Nile blue and Nile red optical properties predicted by TD-DFT and CASPT2 methods: static and dynamic solvent effects Theoretical Chemistry Accounts. 135: 1-11. DOI: 10.1007/S00214-016-1814-Z  1
2015 Gattuso H, Duchanois T, Besancenot V, Barbieux C, Assfeld X, Becuwe P, Gros PC, Grandemange S, Monari A. Interaction of Iron II Complexes with B-DNA. Insights from Molecular Modeling, Spectroscopy, and Cellular Biology. Frontiers in Chemistry. 3: 67. PMID 26734600 DOI: 10.3389/Fchem.2015.00067  1
2015 Dumont E, Grüber R, Bignon E, Morell C, Moreau Y, Monari A, Ravanat JL. Probing the reactivity of singlet oxygen with purines. Nucleic Acids Research. PMID 26656495 DOI: 10.1093/Nar/Gkv1364  1
2015 Monari A, Dumont E, Chatgilialoglu C. Editorial: Radiation-induced and oxidative DNA damages. Frontiers in Chemistry. 3: 54. PMID 26380254 DOI: 10.3389/Fchem.2015.00054  1
2015 Dumont E, Wibowo M, Roca-Sanjuán D, Garavelli M, Assfeld X, Monari A. Resolving the Benzophenone DNA-Photosensitization Mechanism at QM/MM Level. The Journal of Physical Chemistry Letters. 6: 576-80. PMID 26262469 DOI: 10.1021/Jz502562D  1
2015 Dumont E, Monari A. Understanding DNA under oxidative stress and sensitization: the role of molecular modeling. Frontiers in Chemistry. 3: 43. PMID 26236706 DOI: 10.3389/Fchem.2015.00043  1
2015 Bignon E, Gattuso H, Morell C, Dumont E, Monari A. DNA Photosensitization by an "Insider": Photophysics and Triplet Energy Transfer of 5-Methyl-2-pyrimidone Deoxyribonucleoside. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 11509-16. PMID 26133111 DOI: 10.1002/Chem.201501212  1
2015 Dumont É, Monari A. Interaction of palmatine with DNA: an environmentally controlled phototherapy drug. The Journal of Physical Chemistry. B. 119: 410-9. PMID 25526561 DOI: 10.1021/Jp5088515  0.88
2015 Huix-Rotllant M, Dumont E, Ferré N, Monari A. Photophysics of acetophenone interacting with DNA: why the road to photosensitization is open. Photochemistry and Photobiology. 91: 323-30. PMID 25412588 DOI: 10.1111/Php.12395  1
2015 Sharmoukh W, Attanzio A, Busatto E, Etienne T, Carli S, Monari A, Assfeld X, Beley M, Caramori S, Gros PC. 2,5-Dithienylpyrrole (DTP) as a donor component in DTP-π-A organic sensitizers: Photophysical and photovoltaic properties Rsc Advances. 5: 4041-4050. DOI: 10.1039/C4Ra10342D  1
2015 Dumont E, Wibowo M, Roca-Sanjuán D, Garavelli M, Assfeld X, Monari A. Resolving the benzophenone DNA-photosensitization mechanism at QM/MM level Journal of Physical Chemistry Letters. 6: 576-580. DOI: 10.1021/jz502562d  1
2015 Gattuso H, Assfeld X, Monari A. Modeling DNA electronic circular dichroism by QM/MM methods and Frenkel Hamiltonian Theoretical Chemistry Accounts. 134. DOI: 10.1007/S00214-015-1640-8  1
2015 Rivail JL, Monari A, Assfeld X. The non empirical local self consistent field method: Application to quantum mechanics/molecular mechanics (qm/mm) modeling of large biomolecular systems Quantum Modeling of Complex Molecular Systems. 343-365. DOI: 10.1007/978-3-319-21626-3_13  1
2015 Duchanois T, Etienne T, Cebrián C, Liu L, Monari A, Beley M, Assfeld X, Haacke S, Gros PC. An iron-based photosensitizer with extended excited-state lifetime: Photophysical and photovoltaic properties European Journal of Inorganic Chemistry. 2015: 2469-2477. DOI: 10.1002/Ejic.201500142  1
2015 Bignon E, Gattuso H, Morell C, Dumont E, Monari A. DNA Photosensitization by an "Insider": Photophysics and Triplet Energy Transfer of 5-Methyl-2-pyrimidone Deoxyribonucleoside Chemistry - a European Journal. DOI: 10.1002/chem.201501212  1
2014 Etienne T, Assfeld X, Monari A. New Insight into the Topology of Excited States through Detachment/Attachment Density Matrices-Based Centroids of Charge. Journal of Chemical Theory and Computation. 10: 3906-14. PMID 26588534 DOI: 10.1021/Ct500400S  1
2014 Etienne T, Assfeld X, Monari A. Toward a Quantitative Assessment of Electronic Transitions' Charge-Transfer Character. Journal of Chemical Theory and Computation. 10: 3896-905. PMID 26588533 DOI: 10.1021/Ct5003994  1
2014 Garrec J, Monari A, Assfeld X, Mir LM, Tarek M. Lipid Peroxidation in Membranes: The Peroxyl Radical Does Not "Float". The Journal of Physical Chemistry Letters. 5: 1653-8. PMID 26270361 DOI: 10.1021/Jz500502Q  1
2014 Grüber R, Monari A, Dumont E. Stability of the guanine endoperoxide intermediate: a computational challenge for density functional theory. The Journal of Physical Chemistry. A. 118: 11612-9. PMID 25405868 DOI: 10.1021/Jp508330R  1
2014 Véry T, Ambrosek D, Otsuka M, Gourlaouen C, Assfeld X, Monari A, Daniel C. Photophysical properties of ruthenium(II) polypyridyl DNA intercalators: effects of the molecular surroundings investigated by theory. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 12901-9. PMID 25145959 DOI: 10.1002/Chem.201402963  1
2014 Chantzis A, Very T, Despax S, Issenhuth JT, Boeglin A, Hébraud P, Pfeffer M, Monari A, Assfeld X. UV-vis absorption spectrum of a novel Ru(II) complex intercalated in DNA: [Ru(2,2'-bipy)(dppz)(2,2'-ArPy)]⁺. Journal of Molecular Modeling. 20: 2082. PMID 24562852 DOI: 10.1007/S00894-014-2082-2  1
2014 Rossi E, Evangelisti S, Laganà A, Monari A, Rampino S, Verdicchio M, Baldridge KK, Bendazzoli GL, Borini S, Cimiraglia R, Angeli C, Kallay P, Lüthi HP, Ruud K, Sanchez-Marin J, et al. Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model. Journal of Computational Chemistry. 35: 611-21. PMID 24535748 DOI: 10.1002/Jcc.23492  1
2014 Garrec J, Monari A, Assfeld X, Mir LM, Tarek M. Lipid peroxidation in membranes: The peroxyl radical does not "float" Journal of Physical Chemistry Letters. 5: 1653-1658. DOI: 10.1021/jz500502q  1
2014 Etienne T, Assfeld X, Monari A. New insight into the topology of excited states through detachment/attachment density matrices-based centroids of charge Journal of Chemical Theory and Computation. 10: 3906-3914. DOI: 10.1021/ct500400s  1
2014 Etienne T, Assfeld X, Monari A. Toward a quantitative assessment of electronic transitions" charge-transfer character Journal of Chemical Theory and Computation. 10: 3896-3905. DOI: 10.1021/ct5003994  1
2014 Noureen S, Argazzi R, Monari A, Beley M, Assfeld X, Bignozzi CA, Caramori S, Gros PC. Novel Ru-based sunlight harvesters bearing dithienylpyrrolo (DTP)-bipyridine ligands: Synthesis, characterization and photovoltaic properties Dyes and Pigments. 101: 318-328. DOI: 10.1016/J.Dyepig.2013.10.013  1
2014 Etienne T, Chbibi L, Michaux C, Perpète EA, Assfeld X, Monari A. All-organic chromophores for dye-sensitized solar cells: A theoretical study on aggregation Dyes and Pigments. 101: 203-211. DOI: 10.1016/J.Dyepig.2013.10.004  1
2014 Etienne T, Michaux C, Monari A, Assfeld X, Perpète EA. Theoretical computation of Betain B30 solvatochromism using a Polarizable Continuum Model Dyes and Pigments. 100: 24-31. DOI: 10.1016/J.Dyepig.2013.07.017  1
2014 Etienne T, Gattuso H, Monari A, Assfeld X. QM/MM modeling of Harmane cation fluorescence spectrum in water solution and interacting with DNA Computational and Theoretical Chemistry. 1040: 367-372. DOI: 10.1016/J.Comptc.2014.03.026  1
2014 Etienne T, Assfeld X, Monari A. QM/MM calculation of absorption spectra of complex systems: The case of human serum albumin Computational and Theoretical Chemistry. 1040: 360-366. DOI: 10.1016/J.Comptc.2014.01.009  1
2014 Duchanois T, Etienne T, Beley M, Assfeld X, Perpète EA, Monari A, Gros PC. Heteroleptic pyridyl-carbene iron complexes with tuneable electronic properties European Journal of Inorganic Chemistry. 3747-3753. DOI: 10.1002/Ejic.201402356  1
2013 Etienne T, Very T, Perpète EA, Monari A, Assfeld X. A QM/MM study of the absorption spectrum of harmane in water solution and interacting with DNA: the crucial role of dynamic effects. The Journal of Physical Chemistry. B. 117: 4973-80. PMID 23541279 DOI: 10.1021/Jp4017882  1
2013 Giner E, Bendazzoli GL, Evangelisti S, Monari A. Full-configuration-interaction study of the metal-insulator transition in model systems: Peierls dimerization in H(n) rings and chains. The Journal of Chemical Physics. 138: 074315. PMID 23445017 DOI: 10.1063/1.4792197  1
2013 Monari A, Rivail JL, Assfeld X. Theoretical modeling of large molecular systems. Advances in the local self consistent field method for mixed quantum mechanics/molecular mechanics calculations. Accounts of Chemical Research. 46: 596-603. PMID 23249409 DOI: 10.1021/Ar300278J  1
2013 Abtouche S, Very T, Monari A, Brahimi M, Assfeld X. Insight on the interaction of polychlorobiphenyl with nucleic acid-base. Journal of Molecular Modeling. 19: 581-8. PMID 22972692 DOI: 10.1007/S00894-012-1580-3  1
2013 Dumont E, Monari A. Benzophenone and DNA: Evidence for a double insertion mode and its spectral signature Journal of Physical Chemistry Letters. 4: 4119-4124. DOI: 10.1021/Jz4021475  1
2013 Dumont E, Ferré N, Monari A. Towards an accurate treatment of σ* ← σ transitions: Moving onto N6 •- Chemical Physics Letters. 580: 14-20. DOI: 10.1016/J.Cplett.2013.06.044  1
2013 Chantzis A, Very T, Daniel C, Monari A, Assfeld X. Theoretical evidence of photo-induced charge transfer from DNA to intercalated ruthenium (II) organometallic complexes Chemical Physics Letters. 578: 133-137. DOI: 10.1016/J.Cplett.2013.05.068  1
2013 Helal W, Evangelisti S, Leininger T, Monari A. A FCI benchmark on beryllium dimer: The lowest singlet and triplet states Chemical Physics Letters. 568: 49-54. DOI: 10.1016/J.Cplett.2013.03.012  1
2012 Chantzis A, Very T, Monari A, Assfeld X. Improved Treatment of Surrounding Effects: UV/vis Absorption Properties of a Solvated Ru(II) Complex. Journal of Chemical Theory and Computation. 8: 1536-41. PMID 26593648 DOI: 10.1021/Ct300129C  1
2012 Zanna N, Monari A, Assfeld X. Theoretical study of the absorption spectrum of a photoisomerizable iron complex. The Journal of Physical Chemistry. A. 116: 11905-12. PMID 23157650 DOI: 10.1021/Jp310171R  1
2012 Lachaud F, Jeandon C, Beley M, Ruppert R, Gros PC, Monari A, Assfeld X. Ground and excited state properties of new porphyrin based dyads: a combined theoretical and experimental study. The Journal of Physical Chemistry. A. 116: 10736-44. PMID 23088305 DOI: 10.1021/Jp307452D  1
2012 Lachaud F, Jeandon C, Monari A, Assfeld X, Beley M, Ruppert R, Gros PC. New dyads using (metallo)porphyrins as ancillary ligands in polypyridine ruthenium complexes. Synthesis and electronic properties. Dalton Transactions (Cambridge, England : 2003). 41: 12865-71. PMID 22987044 DOI: 10.1039/C2Dt31656K  1
2012 Very T, Despax S, Hébraud P, Monari A, Assfeld X. Spectral properties of polypyridyl ruthenium complexes intercalated in DNA: theoretical insights into the surrounding effects of [Ru(dppz)(bpy)2]2+. Physical Chemistry Chemical Physics : Pccp. 14: 12496-504. PMID 22700035 DOI: 10.1039/C2Cp40935F  1
2012 Verdicchio M, Evangelisti S, Leininger T, Monari A. On the triplet ground state of tetrahedral X4 clusters (X = Li, Na, K, Cu). The Journal of Chemical Physics. 136: 094301. PMID 22401434 DOI: 10.1063/1.3687907  1
2012 Noureen S, Caramori S, Monari A, Assfeld X, Argazzi R, Bignozzi CA, Beley M, Gros PC. Strong π-delocalization and substitution effect on electronic properties of dithienylpyrrole-containing bipyridine ligands and corresponding ruthenium complexes. Dalton Transactions (Cambridge, England : 2003). 41: 4833-44. PMID 22392345 DOI: 10.1039/C2Dt12367C  1
2012 Chantzis A, Very T, Monari A, Assfeld X. Improved treatment of surrounding effects: UV/vis absorption properties of a solvated Ru(II) complex Journal of Chemical Theory and Computation. 8: 1536-1541. DOI: 10.1021/ct300129c  1
2012 Monari A, Very T, Rivail JL, Assfeld X. A QM/MM study on the spinach plastocyanin: Redox properties and absorption spectra Computational and Theoretical Chemistry. 990: 119-125. DOI: 10.1016/J.Comptc.2011.11.026  1
2012 Monari A, Very T, Rivail JL, Assfeld X. Effects of mutations on the absorption spectra of copper proteins: A QM/MM study Theoretical Chemistry Accounts. 131: 1-9. DOI: 10.1007/S00214-012-1221-Z  1
2012 Monari A, Scemama A, Caffarel M. Large-scale quantum monte carlo electronic structure calculations on the EGEE Grid Remote Instrumentation For Escience and Related Aspects. 195-207. DOI: 10.1007/978-1-4614-0508-5_13  1
2012 Bendazzoli GL, Evangelisti S, Monari A. Asymptotic analysis of the localization spread and polarizability of 1-D noninteracting electrons International Journal of Quantum Chemistry. 112: 653-664. DOI: 10.1002/Qua.23036  1
2011 Costuas K, Cador O, Justaud F, Le Stang S, Paul F, Monari A, Evangelisti S, Toupet LC, Lapinte C, Halet JF. 3,5-Bis(ethynyl)pyridine and 2,6-bis(ethynyl)pyridine spanning two Fe(Cp*)(dppe) units: role of the nitrogen atom on the electronic and magnetic couplings. Inorganic Chemistry. 50: 12601-22. PMID 22070368 DOI: 10.1021/Ic2016148  1
2011 Monari A, Assfeld X, Beley M, Gros PC. Theoretical study of new ruthenium-based dyes for dye-sensitized solar cells. The Journal of Physical Chemistry. A. 115: 3596-603. PMID 21428400 DOI: 10.1021/Jp201058V  1
2011 Bendazzoli GL, Evangelisti S, Monari A. Full-configuration-interaction study of the metal-insulator transition in a model system: H n linear chains n=4, 6,⋯, 16 International Journal of Quantum Chemistry. 111: 3416-3423. DOI: 10.1002/Qua.23047  1
2010 Monari A, Evangelisti S, Leininger T. Charge transfer and mixed-valence behavior in phtalocyanine-dimer cations. The Journal of Chemical Physics. 133: 124301. PMID 20886926 DOI: 10.1063/1.3491027  1
2010 Bendazzoli GL, Evangelisti S, Monari A, Resta R. Kohn's localization in the insulating state: one-dimensional lattices, crystalline versus disordered. The Journal of Chemical Physics. 133: 064703. PMID 20707582 DOI: 10.1063/1.3467877  1
2010 Monari A, Maynau D, Malrieu JP. Determination of spin Hamiltonians from projected single reference configuration interaction calculations. I. Spin 1/2 systems. The Journal of Chemical Physics. 133: 044106. PMID 20687632 DOI: 10.1063/1.3458642  1
2010 Evangelisti S, Monari A, Leininger T, Bendazzoli GL. Beryllium chains interacting with Graphene Nanoislands: From anti-ferromagnetic to ferromagnetic ground state Chemical Physics Letters. 496: 306-309. DOI: 10.1016/J.Cplett.2010.07.065  1
2010 Evangelisti S, Bendazzoli GL, Monari A. Electron localizability and polarizability in tight-binding graphene nanostructures Theoretical Chemistry Accounts. 126: 257-263. DOI: 10.1007/S00214-009-0700-3  1
2010 Monari A, Pitarch-Ruiz J, Bendazzoli GL, Evangelisti S, Sanchez-Marin J. High-Spin states in tetrahedral X4 Clusters (X = H, Li, Na, K) International Journal of Quantum Chemistry. 110: 874-884. DOI: 10.1002/Qua.21987  1
2009 Monari A, Bendazzoli GL, Evangelisti S. Theoretical Study of BeN Linear Chains: Optimized Geometries and Harmonic Frequencies. Journal of Chemical Theory and Computation. 5: 1266-73. PMID 26609717 DOI: 10.1021/Ct9001027  1
2009 Pastore M, Monari A, Evangelisti S, Leininger T. Mixed valence character of anionic linear beryllium chains: a CAS-SCF and MR-CI study. The Journal of Physical Chemistry. A. 113: 14706-10. PMID 19821600 DOI: 10.1021/Jp904799Z  1
2009 Pastore M, Monari A, Angeli C, Bendazzoli GL, Cimiraglia R, Evangelisti S. A theoretical study of Be(N) linear chains: variational and perturbative approaches. The Journal of Chemical Physics. 131: 034309. PMID 19624199 DOI: 10.1063/1.3185351  1
2009 Helal W, Monari A, Evangelisti S, Leininger T. Electronic bistability in linear beryllium chains. The Journal of Physical Chemistry. A. 113: 5240-5. PMID 19334736 DOI: 10.1021/Jp900663P  1
2009 Vetere V, Monari A, Scemama A, Bendazzoli GL, Evangelisti S. A theoretical study of linear beryllium chains: full configuration interaction. The Journal of Chemical Physics. 130: 024301. PMID 19154022 DOI: 10.1063/1.3054709  1
2009 Monari A, Bendazzoli GL, Evangelisti S. Theoretical study of BeN linear chains: Optimized geometries and harmonic frequencies Journal of Chemical Theory and Computation. 5: 1266-1273. DOI: 10.1021/ct9001027  1
2009 Bendazzoli GL, Monari A, Evangelisti S. A numerical method for computing dispersion constants Theoretical Chemistry Accounts. 123: 265-272. DOI: 10.1007/S00214-009-0520-5  1
2008 Monari A, Pitarch-Ruiz J, Bendazzoli GL, Evangelisti S, Sanchez-Marin J. Full Configuration-Interaction Study on the Tetrahedral Li4 Cluster. Journal of Chemical Theory and Computation. 4: 404-13. PMID 26620781 DOI: 10.1021/ct7003319  1
2008 Monari A, Bendazzoli GL, Evangelisti S. The metal-insulator transition in dimerized Hückel chains. The Journal of Chemical Physics. 129: 134104. PMID 19045075 DOI: 10.1063/1.2987702  1
2008 Ben Amor N, Maynau D, Malrieu JP, Monari A. Restoring the size consistency of multireference configuration interactions through class dressings: applications to ground and excited states. The Journal of Chemical Physics. 129: 064112. PMID 18715056 DOI: 10.1063/1.2938371  1
2008 Vetere V, Monari A, Bendazzoli GL, Evangelisti S, Paulus B. Full configuration interaction study of the metal-insulator transition in model systems: LiN linear chains (N=2,4,6,8). The Journal of Chemical Physics. 128: 024701. PMID 18205460 DOI: 10.1063/1.2822286  1
2008 Bendazzoli GL, Evangelisti S, Monari A, Paulus B, Vetere V. Full configuration-interaction study of the metal-insulator transition in model systems Journal of Physics: Conference Series. 117. DOI: 10.1088/1742-6596/117/1/012005  1
2008 Monari A, Pitarch-Ruiz J, Bendazzoli GL, Evangelisti S, Sanchez-Marin J. Full configuration-lnteraction study on the tetrahedral Li cluster Journal of Chemical Theory and Computation. 4: 404-413. DOI: 10.1021/ct7003319  1
2008 Monari A, Vetere V, Bendazzoli GL, Evangelisti S, Paulus B. End states and singlet-triplet degeneracy in linear atomic chains Chemical Physics Letters. 465: 102-105. DOI: 10.1016/J.Cplett.2008.09.059  1
2008 Bendazzoli GL, Monari A, Figari G, Rui M, Costa C, Magnasco V. CI calculations of long-range C6 dispersion coefficients for BH-BH Chemical Physics Letters. 450: 396-399. DOI: 10.1016/J.Cplett.2007.11.015  1
2008 Bendazzoli GL, Deguilhem B, Evangelisti S, Gadea FX, Leininger T, Monari A. On the calculation of high-spin states in the full configuration-interaction formalism Chemical Physics. 348: 83-88. DOI: 10.1016/J.Chemphys.2008.02.024  1
2008 Scemama A, Monari A, Angeli C, Borini S, Evangelisti S, Rossi E. Common format for quantum chemistry interoperability: Q5Cost format and library Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 5072: 1094-1107. DOI: 10.1007/978-3-540-69839-5_83  1
2007 Monari A, Bendazzoli GL, Evangelisti S, Angeli C, Ben Amor N, Borini S, Maynau D, Rossi E. The Effect of the Basis-Set Superposition Error on the Calculation of Dispersion Interactions:  A Test Study on the Neon Dimer. Journal of Chemical Theory and Computation. 3: 477-85. PMID 26637029 DOI: 10.1021/Ct6003005  1
2007 Borini S, Monari A, Rossi E, Tajti A, Angeli C, Bendazzoli GL, Cimiraglia R, Emerson A, Evangelisti S, Maynau D, Sanchez-Marin J, Szalay PG. FORTRAN interface for code interoperability in quantum chemistry: the Q5Cost library. Journal of Chemical Information and Modeling. 47: 1271-7. PMID 17492830 DOI: 10.1021/Ci7000567  1
2007 Monari A, Bendazzoli GL, Evangelisti S, Angeli C, Amor NB, Borini S, Maynau D, Rossi E. The effect of the basis-set superposition error on the calculation of dispersion interactions: A test study on the neon dimer Journal of Chemical Theory and Computation. 3: 477-485. DOI: 10.1021/ct6003005  1
2007 Angeli C, Bendazzoli GL, Borini S, Cimiraglia R, Emerson A, Evangelisti S, Maynau D, Monari A, Rossi E, Sanchez-Marin J, Szalay PG, Tajti A. The problem of interoperability: A common data format for quantum chemistry codes International Journal of Quantum Chemistry. 107: 2082-2091. DOI: 10.1002/Qua.21387  1
2005 Bendazzoli GL, Monari A, Figari G, Rui M, Costa C, Magnasco V. Frozen-core full-CI calculation of imaginary frequency-dependent dipole polarizabilities of ground state BeH2 and the C6 dispersion coefficients of its homodimer Chemical Physics Letters. 414: 51-54. DOI: 10.1016/J.Cplett.2005.08.014  1
2004 Bendazzoli GL, Monari A. A Davidson technique for the computation of dispersion constants: Full CI results for Be and LiH Chemical Physics. 306: 153-161. DOI: 10.1016/J.Chemphys.2004.07.023  1
2003 Bendazzoli GL, Monari A, Magnasco V, Figari G, Rui M. An enlarged basis Full-Cl calculation of C7 dispersion coefficients for the LiH-LiH homodimer Chemical Physics Letters. 382: 393-398. DOI: 10.1016/J.Cplett.2003.10.082  1
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