Francesco Paesani

Title(s)Professor, Chemistry and Biochemistry
SchoolVc-academic Affairs
Address9500 Gilman Drive #
La Jolla CA 92093
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    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Researchers can login to make corrections and additions, or contact us for help. to make corrections and additions.
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    1. Current Status of the MB-pol Data-Driven Many-Body Potential for Predictive Simulations of Water Across Different Phases. J Chem Theory Comput. 2024 Oct 14. Palos E, Bull-Vulpe EF, Zhu X, Agnew H, Gupta S, Saha S, Paesani F. PMID: 39401055.
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    2. Concentration-Dependent Layer-Stacking and the Influence on Phase-Conversion in Colloidally Synthesized WSe2 Nanocrystals. Chem Mater. 2024 Sep 24; 36(18):8834-8845. Geisenhoff JQ, Pan Y, Yin H, Paesani F, Schimpf AM. PMID: 39347471; PMCID: PMC11428078.
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    3. A Tribute to Gregory A. Voth. J Phys Chem B. 2024 Aug 15; 128(32):7703-7706. Jin J, Noid WG, Li J, Kumar R, Cao J, Jang S, Paesani F, Reichman D. PMID: 39143864.
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    4. Entropy of Liquid Water as Predicted by the Two-Phase Thermodynamic Model and Data-Driven Many-Body Potentials. J Phys Chem B. 2024 Jul 18; 128(28):6885-6891. Ho CH, Paesani F. PMID: 38970462.
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    5. Excited State Rotational Freedom Impacts Viscosity Sensitivity in Arylcyanoamide Fluorescent Molecular Rotor Dyes. J Phys Chem B. 2024 Apr 25; 128(16):3946-3952. Ehrlich RS, Dasgupta S, Jessup RE, Teppang KL, Shiao AL, Jeoung KY, Su X, Shivkumar A, Theodorakis EA, Paesani F, Yang J. PMID: 38624216.
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    6. Many-body interactions and deep neural network potentials for water. J Chem Phys. 2024 Apr 14; 160(14). Zhai Y, Rashmi R, Palos E, Paesani F. PMID: 38587225.
      View in: PubMed   Mentions:    Fields:    
    7. Molecular driving forces for water adsorption in MOF-808: A comparative analysis with UiO-66. J Chem Phys. 2024 Mar 07; 160(9). Frank HO, Paesani F. PMID: 38426523.
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    8. Monitoring water harvesting in metal-organic frameworks, one water molecule at a time. Chem Sci. 2024 Apr 03; 15(14):5303-5310. Hunter KM, Paesani F. PMID: 38577368; PMCID: PMC10988614.
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    9. Molecular Insights into the Influence of Ions on the Water Structure. I. Alkali Metal Ions in Solution. J Phys Chem B. 2024 Feb 29; 128(8):1953-1962. Savoj R, Agnew H, Zhou R, Paesani F. PMID: 38373140.
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    10. Balance between Physical Interpretability and Energetic Predictability in Widely Used Dispersion-Corrected Density Functionals. J Chem Theory Comput. 2024 Jan 09; 20(1):49-67. Dasgupta S, Palos E, Pan Y, Paesani F. PMID: 38150541.
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    11. Consistent density functional theory-based description of ion hydration through density-corrected many-body representations. J Chem Phys. 2023 Nov 14; 159(18). Palos E, Caruso A, Paesani F. PMID: 37947509.
      View in: PubMed   Mentions: 1     Fields:    
    12. Elucidating the Competitive Adsorption of H2O and CO2 in CALF-20: New Insights for Enhanced Carbon Capture Metal-Organic Frameworks. ACS Appl Mater Interfaces. 2023 Oct 18; 15(41):48287-48295. Ho CH, Paesani F. PMID: 37796189.
      View in: PubMed   Mentions: 2     Fields:    
    13. MBX: A many-body energy and force calculator for data-driven many-body simulations. J Chem Phys. 2023 Aug 07; 159(5). Riera M, Knight C, Bull-Vulpe EF, Zhu X, Agnew H, Smith DGA, Simmonett AC, Paesani F. PMID: 37526156; PMCID: PMC10550339.
      View in: PubMed   Mentions: 3     Fields:    
    14. Toward Data-Driven Many-Body Simulations of Biomolecules in Solution: N-Methyl Acetamide as a Proxy for the Protein Backbone. J Chem Theory Comput. 2023 Jul 11; 19(13):4308-4321. Zhou R, Riera M, Paesani F. PMID: 37382569.
      View in: PubMed   Mentions: 1     Fields:    Translation:Cells
    15. Realistic phase diagram of water from "first principles" data-driven quantum simulations. Nat Commun. 2023 Jun 08; 14(1):3349. Bore SL, Paesani F. PMID: 37291095; PMCID: PMC10250386.
      View in: PubMed   Mentions: 8     Fields:    
    16. MB-pol(2023): Sub-chemical Accuracy for Water Simulations from the Gas to the Liquid Phase. J Chem Theory Comput. 2023 Jun 27; 19(12):3551-3566. Zhu X, Riera M, Bull-Vulpe EF, Paesani F. PMID: 37249505.
      View in: PubMed   Mentions: 7     Fields:    
    17. The Wild-Type tRNA Adenosine Deaminase Enzyme TadA Is Capable of Sequence-Specific DNA Base Editing. Chembiochem. 2023 08 15; 24(16):e202200788. Ranzau BL, Rallapalli KL, Evanoff M, Paesani F, Komor AC. PMID: 36947856; PMCID: PMC10514239.
      View in: PubMed   Mentions: 2     Fields:    
    18. Unveiling Unexpected Modulator-CO2 Dynamics within a Zirconium Metal-Organic Framework. J Am Chem Soc. 2023 May 24; 145(20):11195-11205. Rayder TM, Formalik F, Vornholt SM, Frank H, Lee S, Alzayer M, Chen Z, Sengupta D, Islamoglu T, Paesani F, Chapman KW, Snurr RQ, Farha OK. PMID: 37186787.
      View in: PubMed   Mentions: 1     Fields:    
    19. Structure and thermodynamics of water adsorption in NU-1500-Cr. Commun Chem. 2023 Apr 15; 6(1):70. Ho CH, Valentine ML, Chen Z, Xie H, Farha O, Xiong W, Paesani F. PMID: 37061604; PMCID: PMC10105746.
      View in: PubMed   Mentions: 2  
    20. A "short blanket" dilemma for a state-of-the-art neural network potential for water: Reproducing experimental properties or the physics of the underlying many-body interactions? J Chem Phys. 2023 Feb 28; 158(8):084111. Zhai Y, Caruso A, Bore SL, Luo Z, Paesani F. PMID: 36859071.
      View in: PubMed   Mentions: 11     Fields:    
    21. Connecting the dots for fundamental understanding of structure-photophysics-property relationships of COFs, MOFs, and perovskites using a Multiparticle Holstein Formalism. Chem Sci. 2023 Feb 01; 14(5):1040-1064. Ghosh R, Paesani F. PMID: 36756323; PMCID: PMC9891456.
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    22. Hydration Structure of Na+ and K+ Ions in Solution Predicted by Data-Driven Many-Body Potentials. J Phys Chem B. 2022 11 17; 126(45):9349-9360. Zhuang D, Riera M, Zhou R, Deary A, Paesani F. PMID: 36326071.
      View in: PubMed   Mentions: 1     Fields:    
    23. Accurate Modeling of Bromide and Iodide Hydration with Data-Driven Many-Body Potentials. J Phys Chem B. 2022 10 20; 126(41):8266-8278. Caruso A, Zhu X, Fulton JL, Paesani F. PMID: 36214512.
      View in: PubMed   Mentions: 1     Fields:    Translation:Cells
    24. Data-Driven Many-Body Potential Energy Functions for Generic Molecules: Linear Alkanes as a Proof-of-Concept Application. J Chem Theory Comput. 2023 Jul 25; 19(14):4494-4509. Bull-Vulpe EF, Riera M, Bore SL, Paesani F. PMID: 36113028.
      View in: PubMed   Mentions: 2     Fields:    
    25. Phase diagram of the TIP4P/Ice water model by enhanced sampling simulations. J Chem Phys. 2022 Aug 07; 157(5):054504. Bore SL, Piaggi PM, Car R, Paesani F. PMID: 35933204.
      View in: PubMed   Mentions: 1     Fields:    
    26. How Good Is the Density-Corrected SCAN Functional for Neutral and Ionic Aqueous Systems, and What Is So Right about the Hartree-Fock Density? J Chem Theory Comput. 2022 Aug 09; 18(8):4745-4761. Dasgupta S, Shahi C, Bhetwal P, Perdew JP, Paesani F. PMID: 35785808.
      View in: PubMed   Mentions: 4     Fields:    
    27. The behavior of methane-water mixtures under elevated pressures from simulations using many-body potentials. J Chem Phys. 2022 May 21; 156(19):194504. Robinson VN, Ghosh R, Egan CK, Riera M, Knight C, Paesani F, Hassanali A. PMID: 35597630.
      View in: PubMed   Mentions: 1     Fields:    
    28. Assessing the Interplay between Functional-Driven and Density-Driven Errors in DFT Models of Water. J Chem Theory Comput. 2022 Jun 14; 18(6):3410-3426. Palos E, Lambros E, Swee S, Hu J, Dasgupta S, Paesani F. PMID: 35506889.
      View in: PubMed   Mentions: 4     Fields:    Translation:Cells
    29. Density functional theory of waterwith the machine-learned DM21 functional. J Chem Phys. 2022 Apr 28; 156(16):161103. Palos E, Lambros E, Dasgupta S, Paesani F. PMID: 35490008.
      View in: PubMed   Mentions: 2     Fields:    Translation:Cells
    30. Anomalies and Local Structure of Liquid Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-pol Model. J Phys Chem Lett. 2022 Apr 28; 13(16):3652-3658. Gartner TE, Hunter KM, Lambros E, Caruso A, Riera M, Medders GR, Panagiotopoulos AZ, Debenedetti PG, Paesani F. PMID: 35436129.
      View in: PubMed   Mentions: 4     Fields:    Translation:Cells
    31. Combined Theoretical, Bioinformatic, and Biochemical Analyses of RNA Editing by Adenine Base Editors. CRISPR J. 2022 04; 5(2):294-310. Rallapalli KL, Ranzau BL, Ganapathy KR, Paesani F, Komor AC. PMID: 35353638; PMCID: PMC9347300.
      View in: PubMed   Mentions: 4     Fields:    Translation:Cells
    32. Transferability of data-driven, many-body models for CO2 simulations in the vapor and liquid phases. J Chem Phys. 2022 Mar 14; 156(10):104503. Yue S, Riera M, Ghosh R, Panagiotopoulos AZ, Paesani F. PMID: 35291793.
      View in: PubMed   Mentions: 1     Fields:    
    33. Static and Dynamic Correlations in Water: Comparison of Classical Ab Initio Molecular Dynamics at Elevated Temperature with Path Integral Simulations at Ambient Temperature. J Chem Theory Comput. 2022 Apr 12; 18(4):2124-2131. Li C, Paesani F, Voth GA. PMID: 35263110; PMCID: PMC9059465.
      View in: PubMed   Mentions: 7     Fields:    Translation:Cells
    34. Water Capture Mechanisms at Zeolitic Imidazolate Framework Interfaces. J Am Chem Soc. 2021 12 22; 143(50):21189-21194. Wagner JC, Hunter KM, Paesani F, Xiong W. PMID: 34878776.
      View in: PubMed   Mentions: 6     Fields:    
    35. Elevating density functional theory to chemical accuracy for water simulations through a density-corrected many-body formalism. Nat Commun. 2021 Nov 04; 12(1):6359. Dasgupta S, Lambros E, Perdew JP, Paesani F. PMID: 34737311; PMCID: PMC8569147.
      View in: PubMed   Mentions: 10     Fields:    
    36. MB-Fit: Software infrastructure for data-driven many-body potential energy functions. J Chem Phys. 2021 Sep 28; 155(12):124801. Bull-Vulpe EF, Riera M, Götz AW, Paesani F. PMID: 34598567.
      View in: PubMed   Mentions: 3     Fields:    
    37. Topology-Mediated Enhanced Polaron Coherence in Covalent Organic Frameworks. J Phys Chem Lett. 2021 Oct 07; 12(39):9442-9448. Ghosh R, Paesani F. PMID: 34554754.
      View in: PubMed   Mentions: 2     Fields:    
    38. Data-driven many-body models enable a quantitative description of chloride hydration from clusters to bulk. J Chem Phys. 2021 Aug 14; 155(6):064502. Caruso A, Paesani F. PMID: 34391363.
      View in: PubMed   Mentions: 1     Fields:    
    39. General Many-Body Framework for Data-Driven Potentials with Arbitrary Quantum Mechanical Accuracy: Water as a Case Study. J Chem Theory Comput. 2021 Sep 14; 17(9):5635-5650. Lambros E, Dasgupta S, Palos E, Swee S, Hu J, Paesani F. PMID: 34370954.
      View in: PubMed   Mentions: 4     Fields:    
    40. Vapor-liquid equilibrium of water with the MB-pol many-body potential. J Chem Phys. 2021 Jun 07; 154(21):211103. Muniz MC, Gartner TE, Riera M, Knight C, Yue S, Paesani F, Panagiotopoulos AZ. PMID: 34240989.
      View in: PubMed   Mentions: 10     Fields:    
    41. Assessing the Accuracy of the SCAN Functional for Water through a Many-Body Analysis of the Adiabatic Connection Formula. J Chem Theory Comput. 2021 Jun 08; 17(6):3739-3749. Lambros E, Hu J, Paesani F. PMID: 34036788.
      View in: PubMed   Mentions: 2     Fields:    
    42. Highly Accurate Many-Body Potentials for Simulations of N2O5 in Water: Benchmarks, Development, and Validation. J Chem Theory Comput. 2021 Jul 13; 17(7):3931-3945. Cruzeiro VWD, Lambros E, Riera M, Roy R, Paesani F, Götz AW. PMID: 34029079.
      View in: PubMed   Mentions: 3     Fields:    
    43. Unraveling the effect of defects, domain size, and chemical doping on photophysics and charge transport in covalent organic frameworks. Chem Sci. 2021 May 13; 12(24):8373-8384. Ghosh R, Paesani F. PMID: 34221318; PMCID: PMC8221171.
      View in: PubMed   Mentions: 4  
    44. Relationship between Hydrogen-Bonding Motifs and the 1b1 Splitting in the X-ray Emission Spectrum of Liquid Water. J Phys Chem Lett. 2021 Apr 29; 12(16):3996-4002. Cruzeiro VWD, Wildman A, Li X, Paesani F. PMID: 33877847.
      View in: PubMed   Mentions: 5     Fields:    
    45. Data-Driven Many-Body Models with Chemical Accuracy for CH4/H2O Mixtures. J Phys Chem B. 2020 12 10; 124(49):11207-11221. Riera M, Hirales A, Ghosh R, Paesani F. PMID: 33231072.
      View in: PubMed   Mentions: 5     Fields:    
    46. A Many-Body, Fully Polarizable Approach to QM/MM Simulations. J Chem Theory Comput. 2020 Dec 08; 16(12):7462-7472. Lambros E, Lipparini F, Cisneros GA, Paesani F. PMID: 33213149; PMCID: PMC8131112.
      View in: PubMed   Mentions: 3     Fields:    
    47. How good are polarizable and flexible models for water: Insights from a many-body perspective. J Chem Phys. 2020 Aug 14; 153(6):060901. Lambros E, Paesani F. PMID: 35287447.
      View in: PubMed   Mentions: 12     Fields:    
    48. Infrared signatures of isomer selectivity and symmetry breaking in the Cs+(H2O)3 complex using many-body potential energy functions. J Chem Phys. 2020 Jul 28; 153(4):044306. Riera M, Talbot JJ, Steele RP, Paesani F. PMID: 32752679.
      View in: PubMed   Mentions: 2     Fields:    
    49. Correction to "Nature of Alkali Ion-Water Interactions: Insights from Many-Body Representations and Density Functional Theory. II". J Chem Theory Comput. 2020 08 11; 16(8):5422-5424. Egan CK, Bizzarro BB, Riera M, Paesani F. PMID: 32701284.
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    50. Nature of Alkali Ion-Water Interactions: Insights from Many-Body Representations and Density Functional Theory. II. J Chem Theory Comput. 2020 May 12; 16(5):3055-3072. Egan CK, Bizzarro BB, Riera M, Paesani F. PMID: 32250613.
      View in: PubMed   Mentions: 1     Fields:    
    51. Active learning of many-body configuration space: Application to the Cs+-water MB-nrg potential energy function as a case study. J Chem Phys. 2020 Apr 14; 152(14):144103. Zhai Y, Caruso A, Gao S, Paesani F. PMID: 32295371.
      View in: PubMed   Mentions: 1     Fields:    
    52. Data-Driven Many-Body Models for Molecular Fluids: CO2/H2O Mixtures as a Case Study. J Chem Theory Comput. 2020 Apr 14; 16(4):2246-2257. Riera M, Yeh EP, Paesani F. PMID: 32130003.
      View in: PubMed   Mentions: 5     Fields:    
    53. Computer simulations explain mutation-induced effects on the DNA editing by adenine base editors. Sci Adv. 2020 03; 6(10):eaaz2309. Rallapalli KL, Komor AC, Paesani F. PMID: 32181363; PMCID: PMC7056309.
      View in: PubMed   Mentions: 14     Fields:    Translation:HumansCells
    54. The end of ice I. Proc Natl Acad Sci U S A. 2019 12 03; 116(49):24413-24419. Moberg DR, Becker D, Dierking CW, Zurheide F, Bandow B, Buck U, Hudait A, Molinero V, Paesani F, Zeuch T. PMID: 31685641; PMCID: PMC6900515.
      View in: PubMed   Mentions: 9     Fields:    
    55. Hydrogen bonding structure of confined water templated by a metal-organic framework with open metal sites. Nat Commun. 2019 10 18; 10(1):4771. Rieth AJ, Hunter KM, Dinca M, Paesani F. PMID: 31628319; PMCID: PMC6802106.
      View in: PubMed   Mentions: 20     Fields:    
    56. Sun et al. Reply. Phys Rev Lett. 2019 08 30; 123(9):099602. Sun S, Tang F, Imoto S, Moberg DR, Ohto T, Paesani F, Bonn M, Backus EHG, Nagata Y. PMID: 31524490.
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    57. Assessing Many-Body Effects of Water Self-Ions. II: H3O+(H2O)n Clusters. J Chem Theory Comput. 2019 Sep 10; 15(9):4816-4833. Egan CK, Paesani F. PMID: 31345030.
      View in: PubMed   Mentions: 1     Fields:    
    58. Low-order many-body interactions determine the local structure of liquid water. Chem Sci. 2019 Sep 21; 10(35):8211-8218. Riera M, Lambros E, Nguyen TT, Götz AW, Paesani F. PMID: 32133122; PMCID: PMC6927411.
      View in: PubMed   Mentions: 8  
    59. Water is not a dynamic polydisperse branched polymer. Proc Natl Acad Sci U S A. 2019 07 02; 116(27):13169-13170. Head-Gordon T, Paesani F. PMID: 31239338; PMCID: PMC6613084.
      View in: PubMed   Mentions: 3     Fields:    
    60. Specific Ion Effects on Hydrogen-Bond Rearrangements in the Halide-Dihydrate Complexes. J Phys Chem Lett. 2019 Jun 06; 10(11):2823-2828. Bajaj P, Zhuang D, Paesani F. PMID: 31082245.
      View in: PubMed   Mentions: 1     Fields:    
    61. Nature of Halide-Water Interactions: Insights from Many-Body Representations and Density Functional Theory. J Chem Theory Comput. 2019 May 14; 15(5):2983-2995. Bizzarro BB, Egan CK, Paesani F. PMID: 30913392.
      View in: PubMed   Mentions: 3     Fields:    
    62. Assessment of Density Functional Theory in Predicting Interaction Energies between Water and Polycyclic Aromatic Hydrocarbons: from Water on Benzene to Water on Graphene. J Chem Theory Comput. 2019 Apr 09; 15(4):2359-2374. Ajala AO, Voora V, Mardirossian N, Furche F, Paesani F. PMID: 30860827.
      View in: PubMed   Mentions: 5     Fields:    
    63. Halide Ion Microhydration: Structure, Energetics, and Spectroscopy of Small Halide-Water Clusters. J Phys Chem A. 2019 Apr 04; 123(13):2843-2852. Bajaj P, Riera M, Lin JK, Mendoza Montijo YE, Gazca J, Paesani F. PMID: 30857387.
      View in: PubMed   Mentions: 5     Fields:    
    64. Halogen bonding in UiO-66 frameworks promotes superior chemical warfare agent simulant degradation. Chem Commun (Camb). 2019 Mar 19; 55(24):3481-3484. Kalaj M, Momeni MR, Bentz KC, Barcus KS, Palomba JM, Paesani F, Cohen SM. PMID: 30829360.
      View in: PubMed   Mentions: 5     Fields:    
    65. Ion-mediated hydrogen-bond rearrangement through tunnelling in the iodide-dihydrate complex. Nat Chem. 2019 04; 11(4):367-374. Bajaj P, Richardson JO, Paesani F. PMID: 30833718.
      View in: PubMed   Mentions: 8     Fields:    
    66. Water structure at the interface of alcohol monolayers as determined by molecular dynamics simulations and computational vibrational sum-frequency generation spectroscopy. J Chem Phys. 2019 Jan 21; 150(3):034701. Moberg DR, Li Q, Reddy SK, Paesani F. PMID: 30660151.
      View in: PubMed   Mentions: 2     Fields:    
    67. Many-Body Effects Determine the Local Hydration Structure of Cs+ in Solution. J Phys Chem Lett. 2019 Feb 07; 10(3):406-412. Zhuang D, Riera M, Schenter GK, Fulton JL, Paesani F. PMID: 30629438.
      View in: PubMed   Mentions: 2     Fields:    
    68. Orientational Distribution of Free O-H Groups of Interfacial Water is Exponential. Phys Rev Lett. 2018 Dec 14; 121(24):246101. Sun S, Tang F, Imoto S, Moberg DR, Ohto T, Paesani F, Bonn M, Backus EHG, Nagata Y. PMID: 30608741.
      View in: PubMed   Mentions: 15     Fields:    
    69. Disentangling Coupling Effects in the Infrared Spectra of Liquid Water. J Phys Chem B. 2018 11 29; 122(47):10754-10761. Hunter KM, Shakib FA, Paesani F. PMID: 30403350.
      View in: PubMed   Mentions: 9     Fields:    
    70. Neat Water-Vapor Interface: Proton Continuum and the Nonresonant Background. J Phys Chem Lett. 2018 Dec 06; 9(23):6744-6749. Sengupta S, Moberg DR, Paesani F, Tyrode E. PMID: 30407831.
      View in: PubMed   Mentions: 6     Fields:    
    71. Molecular-Level Interpretation of Vibrational Spectra of Ordered Ice Phases. J Phys Chem B. 2018 Nov 21; 122(46):10572-10581. Moberg DR, Sharp PJ, Paesani F. PMID: 30358400.
      View in: PubMed   Mentions: 7     Fields:    
    72. Electron-Hole Theory of the Effect of Quantum Nuclei on the X-Ray Absorption Spectra of Liquid Water. Phys Rev Lett. 2018 Sep 28; 121(13):137401. Sun Z, Zheng L, Chen M, Klein ML, Paesani F, Wu X. PMID: 30312094.
      View in: PubMed   Mentions: 5     Fields:    
    73. Guest-Dependent Stabilization of the Low-Spin State in Spin-Crossover Metal-Organic Frameworks. Inorg Chem. 2018 Aug 20; 57(16):9839-9843. Pham CH, Paesani F. PMID: 30067340.
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    74. Preordering of water is not needed for ice recognition by hyperactive antifreeze proteins. Proc Natl Acad Sci U S A. 2018 08 14; 115(33):8266-8271. Hudait A, Moberg DR, Qiu Y, Odendahl N, Paesani F, Molinero V. PMID: 29987018; PMCID: PMC6099916.
      View in: PubMed   Mentions: 16     Fields:    Translation:Cells
    75. Isomeric Equilibria, Nuclear Quantum Effects, and Vibrational Spectra of M+(H2O) n=1-3 Clusters, with M = Li, Na, K, Rb, and Cs, through Many-Body Representations. J Phys Chem A. 2018 Jul 12; 122(27):5811-5821. Riera M, Brown SE, Paesani F. PMID: 29897757.
      View in: PubMed   Mentions: 1     Fields:    
    76. Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions. J Chem Phys. 2018 Jun 28; 148(24):241725. Nguyen TT, Székely E, Imbalzano G, Behler J, Csányi G, Ceriotti M, Götz AW, Paesani F. PMID: 29960316.
      View in: PubMed   Mentions: 18     Fields:    
    77. Solvation-Guided Design of Fluorescent Probes for Discrimination of Amyloids. Sci Rep. 2018 05 03; 8(1):6950. Cao KJ, Elbel KM, Cifelli JL, Cirera J, Sigurdson CJ, Paesani F, Theodorakis EA, Yang J. PMID: 29725045; PMCID: PMC5934448.
      View in: PubMed   Mentions: 5     Fields:    Translation:HumansCells
    78. Second-Order Vibrational Lineshapes from the Air/Water Interface. J Phys Chem A. 2018 May 10; 122(18):4457-4464. Ohno PE, Wang HF, Paesani F, Skinner JL, Geiger FM. PMID: 29665333.
      View in: PubMed   Mentions: 9     Fields:    
    79. Engineering the entropy-driven free-energy landscape of a dynamic nanoporous protein assembly. Nat Chem. 2018 07; 10(7):732-739. Alberstein R, Suzuki Y, Paesani F, Tezcan FA. PMID: 29713036; PMCID: PMC6056010.
      View in: PubMed   Mentions: 17     Fields:    Translation:Cells
    80. Temperature Dependence of the Air/Water Interface Revealed by Polarization Sensitive Sum-Frequency Generation Spectroscopy. J Phys Chem B. 2018 04 19; 122(15):4356-4365. Moberg DR, Straight SC, Paesani F. PMID: 29614228.
      View in: PubMed   Mentions: 14     Fields:    
    81. Ice-Nucleating and Antifreeze Proteins Recognize Ice through a Diversity of Anchored Clathrate and Ice-like Motifs. J Am Chem Soc. 2018 04 11; 140(14):4905-4912. Hudait A, Odendahl N, Qiu Y, Paesani F, Molinero V. PMID: 29564892.
      View in: PubMed   Mentions: 26     Fields:    Translation:Cells
    82. Assessing Many-Body Effects of Water Self-Ions. I: OH-(H2O) n Clusters. J Chem Theory Comput. 2018 Apr 10; 14(4):1982-1997. Egan CK, Paesani F. PMID: 29543452.
      View in: PubMed   Mentions: 3     Fields:    
    83. Vibrational spectra of halide-water dimers: Insights on ion hydration from full-dimensional quantum calculations on many-body potential energy surfaces. J Chem Phys. 2018 Mar 14; 148(10):102321. Bajaj P, Wang XG, Carrington T, Paesani F. PMID: 29544337.
      View in: PubMed   Mentions: 1     Fields:    
    84. Transmission Electron Microscopy Reveals Deposition of Metal Oxide Coatings onto Metal-Organic Frameworks. J Am Chem Soc. 2018 Jan 31; 140(4):1348-1357. Denny MS, Parent LR, Patterson JP, Meena SK, Pham H, Abellan P, Ramasse QM, Paesani F, Gianneschi NC, Cohen SM. PMID: 29268603.
      View in: PubMed   Mentions: 8     Fields:    
    85. Electron affinity of liquid water. Nat Commun. 2018 01 16; 9(1):247. Gaiduk AP, Pham TA, Govoni M, Paesani F, Galli G. PMID: 29339731; PMCID: PMC5770385.
      View in: PubMed   Mentions: 27     Fields:    
    86. Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function. J Chem Phys. 2017 Dec 28; 147(24):244504. Reddy SK, Moberg DR, Straight SC, Paesani F. PMID: 29289126.
      View in: PubMed   Mentions: 16     Fields:    
    87. Ultrafast direct electron transfer at organic semiconductor and metal interfaces. Sci Adv. 2017 11; 3(11):e1701508. Xiang B, Li Y, Pham CH, Paesani F, Xiong W. PMID: 29159282; PMCID: PMC5694661.
      View in: PubMed   Mentions: 13     Fields:    
    88. Toward chemical accuracy in the description of ion-water interactions through many-body representations. Alkali-water dimer potential energy surfaces. J Chem Phys. 2017 Oct 28; 147(16):161715. Riera M, Mardirossian N, Bajaj P, Götz AW, Paesani F. PMID: 29096469.
      View in: PubMed   Mentions: 7     Fields:    
    89. Pore Breathing of Metal-Organic Frameworks by Environmental Transmission Electron Microscopy. J Am Chem Soc. 2017 10 11; 139(40):13973-13976. Parent LR, Pham CH, Patterson JP, Denny MS, Cohen SM, Gianneschi NC, Paesani F. PMID: 28942647.
      View in: PubMed   Mentions: 8     Fields:    
    90. Molecular Origin of the Vibrational Structure of Ice Ih. J Phys Chem Lett. 2017 Jun 15; 8(12):2579-2583. Moberg DR, Straight SC, Knight C, Paesani F. PMID: 28541703.
      View in: PubMed   Mentions: 15     Fields:    
    91. Monitoring Water Clusters "Melt" Through Vibrational Spectroscopy. J Am Chem Soc. 2017 05 24; 139(20):7082-7088. Brown SE, Götz AW, Cheng X, Steele RP, Mandelshtam VA, Paesani F. PMID: 28464604.
      View in: PubMed   Mentions: 12     Fields:    
    92. Sodium-carboxylate contact ion pair formation induces stabilization of palmitic acid monolayers at high pH. Phys Chem Chem Phys. 2017 Apr 19; 19(16):10481-10490. Adams EM, Wellen BA, Thiraux R, Reddy SK, Vidalis AS, Paesani F, Allen HC. PMID: 28383584.
      View in: PubMed   Mentions: 6     Fields:    
    93. Many-Body Interactions in Ice. J Chem Theory Comput. 2017 Apr 11; 13(4):1778-1784. Pham CH, Reddy SK, Chen K, Knight C, Paesani F. PMID: 28245359.
      View in: PubMed   Mentions: 6     Fields:    
    94. Ice Nucleation Efficiency of Hydroxylated Organic Surfaces Is Controlled by Their Structural Fluctuations and Mismatch to Ice. J Am Chem Soc. 2017 03 01; 139(8):3052-3064. Qiu Y, Odendahl N, Hudait A, Mason R, Bertram AK, Paesani F, DeMott PJ, Molinero V. PMID: 28135412.
      View in: PubMed   Mentions: 25     Fields:    
    95. On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice. J Chem Phys. 2016 Nov 21; 145(19):194504. Reddy SK, Straight SC, Bajaj P, Huy Pham C, Riera M, Moberg DR, Morales MA, Knight C, Götz AW, Paesani F. PMID: 27875875.
      View in: PubMed   Mentions: 55     Fields:    
    96. The i-TTM model for ab initio-based ion-water interaction potentials. II. Alkali metal ion-water potential energy functions. Phys Chem Chem Phys. 2016 Nov 09; 18(44):30334-30343. Riera M, Götz AW, Paesani F. PMID: 27711564.
      View in: PubMed   Mentions: 6     Fields:    
    97. Spin Crossover in the {Fe(pz)[Pt(CN)4]} Metal-Organic Framework upon Pyrazine Adsorption. J Phys Chem Lett. 2016 Oct 06; 7(19):4022-4026. Pham CH, Paesani F. PMID: 27669346.
      View in: PubMed   Mentions: 1     Fields:    
    98. Getting the Right Answers for the Right Reasons: Toward Predictive Molecular Simulations of Water with Many-Body Potential Energy Functions. Acc Chem Res. 2016 09 20; 49(9):1844-51. Paesani F. PMID: 27548325.
      View in: PubMed   Mentions: 21     Fields:    
    99. Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions. Chem Rev. 2016 07 13; 116(13):7501-28. Cisneros GA, Wikfeldt KT, Ojamäe L, Lu J, Xu Y, Torabifard H, Bartók AP, Csányi G, Molinero V, Paesani F. PMID: 27186804; PMCID: PMC5450669.
      View in: PubMed   Mentions: 68     Fields:    
    100. Toward Chemical Accuracy in the Description of Ion-Water Interactions through Many-Body Representations. I. Halide-Water Dimer Potential Energy Surfaces. J Chem Theory Comput. 2016 Jun 14; 12(6):2698-705. Bajaj P, Götz AW, Paesani F. PMID: 27145081.
      View in: PubMed   Mentions: 10     Fields:    
    101. Molecular Mechanisms of Spin Crossover in the {Fe(pz)[Pt(CN)4]} Metal-Organic Framework upon Water Adsorption. J Am Chem Soc. 2016 05 18; 138(19):6123-6. Pham CH, Cirera J, Paesani F. PMID: 27149014.
      View in: PubMed   Mentions: 1     Fields:    
    102. Exploring Electrostatic Effects on the Hydrogen Bond Network of Liquid Water through Many-Body Molecular Dynamics. J Phys Chem B. 2016 08 25; 120(33):8539-46. Straight SC, Paesani F. PMID: 27109247.
      View in: PubMed   Mentions: 3     Fields:    
    103. The effects of framework dynamics on the behavior of water adsorbed in the [Zn(l-L)(Cl)] and Co-MOF-74 metal-organic frameworks. Phys Chem Chem Phys. 2016 Mar 21; 18(11):8196-204. Terranova ZL, Paesani F. PMID: 26928975.
      View in: PubMed   Mentions: 1     Fields:    
    104. Dissecting the Molecular Structure of the Air/Water Interface from Quantum Simulations of the Sum-Frequency Generation Spectrum. J Am Chem Soc. 2016 Mar 23; 138(11):3912-9. Medders GR, Paesani F. PMID: 26943730.
      View in: PubMed   Mentions: 24     Fields:    
    105. Proton Transport in a Highly Conductive Porous Zirconium-Based Metal-Organic Framework: Molecular Insight. Angew Chem Int Ed Engl. 2016 Mar 14; 55(12):3919-24. Borges DD, Devautour-Vinot S, Jobic H, Ollivier J, Nouar F, Semino R, Devic T, Serre C, Paesani F, Maurin G. PMID: 26889765.
      View in: PubMed   Mentions: 11     Fields:    
    106. i-TTM Model for Ab Initio-Based Ion-Water Interaction Potentials. 1. Halide-Water Potential Energy Functions. J Phys Chem B. 2016 Mar 03; 120(8):1822-32. Arismendi-Arrieta DJ, Riera M, Bajaj P, Prosmiti R, Paesani F. PMID: 26560189.
      View in: PubMed   Mentions: 8     Fields:    
    107. On the representation of many-body interactions in water. J Chem Phys. 2015 Sep 14; 143(10):104102. Medders GR, Götz AW, Morales MA, Bajaj P, Paesani F. PMID: 26374013.
      View in: PubMed   Mentions: 6     Fields:    
    108. On the interplay of the potential energy and dipole moment surfaces in controlling the infrared activity of liquid water. J Chem Phys. 2015 Jun 07; 142(21):212411. Medders GR, Paesani F. PMID: 26049431.
      View in: PubMed   Mentions: 5     Fields:    Translation:Cells
    109. Infrared and Raman Spectroscopy of Liquid Water through "First-Principles" Many-Body Molecular Dynamics. J Chem Theory Comput. 2015 Mar 10; 11(3):1145-54. Medders GR, Paesani F. PMID: 26579763.
      View in: PubMed   Mentions: 32     Fields:    Translation:Cells
    110. Thermodynamics of water dimer dissociation in the primary hydration shell of the iodide ion with temperature-dependent vibrational predissociation spectroscopy. J Phys Chem A. 2015 Mar 12; 119(10):1859-66. Wolke CT, Menges FS, Tötsch N, Gorlova O, Fournier JA, Weddle GH, Johnson MA, Heine N, Esser TK, Knorke H, Asmis KR, McCoy AB, Arismendi-Arrieta DJ, Prosmiti R, Paesani F. PMID: 25647222.
      View in: PubMed   Mentions: 3     Fields:    
    111. Effects of surface pressure on the properties of Langmuir monolayers and interfacial water at the air-water interface. Langmuir. 2015 Feb 24; 31(7):2147-56. Lin W, Clark AJ, Paesani F. PMID: 25642579.
      View in: PubMed   Mentions: 3     Fields:    
    112. Infrared spectra of HCl(H2O)n clusters from semiempirical Born-Oppenheimer molecular dynamics simulations. J Phys Chem A. 2015 May 14; 119(19):4450-6. Lin W, Paesani F. PMID: 25397914.
      View in: PubMed   Mentions: 1     Fields:    
    113. Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase. J Chem Phys. 2014 Nov 14; 141(18):181101. Rossi M, Liu H, Paesani F, Bowman J, Ceriotti M. PMID: 25399122.
      View in: PubMed   Mentions: 7     Fields:    
    114. Theoretical modeling of spin crossover in metal-organic frameworks: [Fe(pz)2Pt(CN)4] as a case study. Inorg Chem. 2014 Oct 20; 53(20):11020-8. Cirera J, Babin V, Paesani F. PMID: 25271873.
      View in: PubMed   Mentions: 2     Fields:    
    115. Erratum: Development of a "First-Principles" Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient. J Chem Theory Comput. 2014 Aug 12; 10(8):3585. Babin V, Leforestier C, Paesani F. PMID: 26588322.
      View in: PubMed   Mentions:    Fields:    
    116. Water Dynamics in Metal-Organic Frameworks: Effects of Heterogeneous Confinement Predicted by Computational Spectroscopy. J Phys Chem Lett. 2014 Aug 21; 5(16):2897-902. Medders GR, Paesani F. PMID: 26278096.
      View in: PubMed   Mentions: 7     Fields:    
    117. Development of a "First-Principles" Water Potential with Flexible Monomers. III. Liquid Phase Properties. J Chem Theory Comput. 2014 Aug 12; 10(8):2906-10. Medders GR, Babin V, Paesani F. PMID: 26588266.
      View in: PubMed   Mentions: 58     Fields:    
    118. Erratum: Development of a "First-Principles" Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient. J Chem Theory Comput. 2014 May 13; 10(5):2212. Babin V, Leforestier C, Paesani F. PMID: 26580545.
      View in: PubMed   Mentions:    Fields:    
    119. Fast and slow proton transfer in ice: the role of the quasi-liquid layer and hydrogen-bond network. J Phys Chem B. 2014 Jul 17; 118(28):8081-9. Park K, Lin W, Paesani F. PMID: 24689651.
      View in: PubMed   Mentions: 1     Fields:    
    120. Development of a "First Principles" Water Potential with Flexible Monomers. II: Trimer Potential Energy Surface, Third Virial Coefficient, and Small Clusters. J Chem Theory Comput. 2014 Apr 08; 10(4):1599-607. Babin V, Medders GR, Paesani F. PMID: 26580372.
      View in: PubMed   Mentions: 53     Fields:    
    121. Development of a "First Principles" Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient. J Chem Theory Comput. 2013 Dec 10; 9(12):5395-403. Babin V, Leforestier C, Paesani F. PMID: 26592277.
      View in: PubMed   Mentions: 71     Fields:    
    122. Many-Body Convergence of the Electrostatic Properties of Water. J Chem Theory Comput. 2013 Nov 12; 9(11):4844-52. Medders GR, Paesani F. PMID: 26583403.
      View in: PubMed   Mentions: 3     Fields:    
    123. Systematic study of structural and thermodynamic properties of HCl(H2O)n clusters from semiempirical replica exchange simulations. J Phys Chem A. 2013 Aug 15; 117(32):7131-41. Lin W, Paesani F. PMID: 23537473.
      View in: PubMed   Mentions: 1     Fields:    
    124. Chemically crosslinked isoreticular metal-organic frameworks. Chem Commun (Camb). 2013 Apr 21; 49(31):3200-2. Allen CA, Boissonnault JA, Cirera J, Gulland R, Paesani F, Cohen SM. PMID: 23486829.
      View in: PubMed   Mentions: 3     Fields:    
    125. Negative Ion Photoelectron Spectroscopy Reveals Thermodynamic Advantage of Organic Acids in Facilitating Formation of Bisulfate Ion Clusters: Atmospheric Implications. J Phys Chem Lett. 2013 Mar 07; 4(5):779-85. Hou GL, Lin W, Deng SH, Zhang J, Zheng WJ, Paesani F, Wang XB. PMID: 26281932.
      View in: PubMed   Mentions: 4     Fields:    
    126. A Critical Assessment of Two-Body and Three-Body Interactions in Water. J Chem Theory Comput. 2013 Feb 12; 9(2):1103-14. Medders GR, Babin V, Paesani F. PMID: 26588754.
      View in: PubMed   Mentions: 15     Fields:    
    127. Toward a Universal Water Model: First Principles Simulations from the Dimer to the Liquid Phase. J Phys Chem Lett. 2012 Dec 20; 3(24):3765-9. Babin V, Medders GR, Paesani F. PMID: 26291108.
      View in: PubMed   Mentions: 8     Fields:    
    128. Water structure, dynamics, and spectral signatures: changes upon model cavity-ligand recognition. J Phys Chem B. 2012 Nov 26; 116(46):13774-80. Baron R, Setny P, Paesani F. PMID: 23102165.
      View in: PubMed   Mentions: 6     Fields:    Translation:Cells
    129. The effects of electronic polarization on water adsorption in metal-organic frameworks: H2O in MIL-53(Cr). J Chem Phys. 2012 Aug 07; 137(5):054704. Cirera J, Sung JC, Howland PB, Paesani F. PMID: 22894368.
      View in: PubMed   Mentions: 4     Fields:    Translation:Cells
    130. Theoretical prediction of spin-crossover temperatures in ligand-driven light-induced spin change systems. Inorg Chem. 2012 Aug 06; 51(15):8194-201. Cirera J, Paesani F. PMID: 22817277.
      View in: PubMed   Mentions: 3     Fields:    
    131. Application of Adaptive QM/MM Methods to Molecular Dynamics Simulations of Aqueous Systems. J Chem Theory Comput. 2012 Aug 14; 8(8):2868-77. Park K, Götz AW, Walker RC, Paesani F. PMID: 26592126.
      View in: PubMed   Mentions: 14     Fields:    
    132. The water hexamer: cage, prism, or both. Full dimensional quantum simulations say both. J Am Chem Soc. 2012 Jul 11; 134(27):11116-9. Wang Y, Babin V, Bowman JM, Paesani F. PMID: 22731508.
      View in: PubMed   Mentions: 9     Fields:    
    133. Molecular-level characterization of the breathing behavior of the jungle-gym-type DMOF-1 metal-organic framework. J Am Chem Soc. 2012 Mar 07; 134(9):4207-15. Grosch JS, Paesani F. PMID: 22313371.
      View in: PubMed   Mentions: 11     Fields:    
    134. A refined MS-EVB model for proton transport in aqueous environments. J Phys Chem B. 2012 Jan 12; 116(1):343-52. Park K, Lin W, Paesani F. PMID: 22107267.
      View in: PubMed   Mentions: 6     Fields:    Translation:Cells
    135. Hydrogen bond dynamics in heavy water studied with quantum dynamical simulations. Phys Chem Chem Phys. 2011 Nov 28; 13(44):19865-75. Paesani F. PMID: 21892511.
      View in: PubMed   Mentions: 4     Fields:    
    136. Temperature-dependent infrared spectroscopy of water from a first-principles approach. J Phys Chem A. 2011 Jun 30; 115(25):6861-71. Paesani F. PMID: 21247204.
      View in: PubMed   Mentions: 1     Fields:    
    137. Proton Transfer Studied Using a Combined Ab Initio Reactive Potential Energy Surface with Quantum Path Integral Methodology. J Chem Theory Comput. 2010 Sep 14; 6(9):2566-2580. Wong KF, Sonnenberg JL, Paesani F, Yamamoto T, Vanícek J, Zhang W, Schlegel HB, Case DA, Cheatham TE, Miller WH, Voth GA. PMID: 21116485; PMCID: PMC2992356.
      View in: PubMed   Mentions: 4     Fields:    
    138. A quantitative assessment of the accuracy of centroid molecular dynamics for the calculation of the infrared spectrum of liquid water. J Chem Phys. 2010 Jan 07; 132(1):014105. Paesani F, Voth GA. PMID: 20078147.
      View in: PubMed   Mentions: 6     Fields:    Translation:Cells
    139. Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrum. J Chem Phys. 2009 Oct 28; 131(16):164509. Liu J, Miller WH, Paesani F, Zhang W, Case DA. PMID: 19894958.
      View in: PubMed   Mentions: 6     Fields:    Translation:Cells
    140. Infrared spectroscopy and hydrogen-bond dynamics of liquid water from centroid molecular dynamics with an ab initio-based force field. J Phys Chem B. 2009 Oct 01; 113(39):13118-30. Paesani F, Xantheas SS, Voth GA. PMID: 19722542.
      View in: PubMed   Mentions: 11     Fields:    Translation:Cells
    141. The properties of water: insights from quantum simulations. J Phys Chem B. 2009 Apr 30; 113(17):5702-19. Paesani F, Voth GA. PMID: 19385690.
      View in: PubMed   Mentions: 12     Fields:    Translation:Cells
    142. Hydrated excess proton at water-hydrophobic interfaces. J Phys Chem B. 2009 Apr 02; 113(13):4017-30. Iuchi S, Chen H, Paesani F, Voth GA. PMID: 18821788.
      View in: PubMed   Mentions: 21     Fields:    Translation:Cells
    143. Nonlinear quantum time correlation functions from centroid molecular dynamics and the maximum entropy method. J Chem Phys. 2008 Nov 21; 129(19):194113. Paesani F, Voth GA. PMID: 19026051.
      View in: PubMed   Mentions: 2     Fields:    
    144. Special pair dance and partner selection: elementary steps in proton transport in liquid water. J Phys Chem B. 2008 Aug 07; 112(31):9456-66. Markovitch O, Chen H, Izvekov S, Paesani F, Voth GA, Agmon N. PMID: 18630857.
      View in: PubMed   Mentions: 44     Fields:    Translation:Cells
    145. An improved multistate empirical valence bond model for aqueous proton solvation and transport. J Phys Chem B. 2008 Jan 17; 112(2):467-82. Wu Y, Chen H, Wang F, Paesani F, Voth GA. PMID: 17999484.
      View in: PubMed   Mentions: 35     Fields:    Translation:Cells
    146. Quantum effects in liquid water from an ab initio-based polarizable force field. J Chem Phys. 2007 Aug 21; 127(7):074506. Paesani F, Iuchi S, Voth GA. PMID: 17718619.
      View in: PubMed   Mentions: 16     Fields:    
    147. Rovibrational spectra for the HCCCN*HCN and HCN*HCCCN binary complexes in 4He droplets. J Phys Chem A. 2007 Aug 09; 111(31):7516-28. Paesani F, Whaley KB, Douberly GE, Miller RE. PMID: 17595066.
      View in: PubMed   Mentions: 1     Fields:    Translation:Cells
    148. An accurate and simple quantum model for liquid water. J Chem Phys. 2006 Nov 14; 125(18):184507. Paesani F, Zhang W, Case DA, Cheatham TE, Voth GA. PMID: 17115765.
      View in: PubMed   Mentions: 27     Fields:    
    149. Vibrational shifts of OCS in mixed clusters of parahydrogen and helium. J Chem Phys. 2006 Jun 21; 124(23):234310. Paesani F, Whaley KB. PMID: 16821921.
      View in: PubMed   Mentions:    Fields:    
    150. Path integral methods for rotating molecules in superfluids. J Chem Phys. 2005 Sep 15; 123(11):114301. Zillich RE, Paesani F, Kwon Y, Whaley KB. PMID: 16392553.
      View in: PubMed   Mentions:    Fields:    
    151. OCS in para-hydrogen clusters: rotational dynamics and superfluidity. J Chem Phys. 2005 May 08; 122(18):181106. Paesani F, Zillich RE, Kwon Y, Whaley KB. PMID: 15918687.
      View in: PubMed   Mentions:    Fields:    
    152. Onset of superfluidity in small CO2(4He)N clusters. Phys Rev Lett. 2005 Apr 22; 94(15):153401. Paesani F, Kwon Y, Whaley KB. PMID: 15904142.
      View in: PubMed   Mentions:    Fields:    
    153. Rotational excitations of N2O in small helium clusters and the role of Bose permutation symmetry. J Chem Phys. 2004 Sep 15; 121(11):5293-311. Paesani F, Whaley KB. PMID: 15352823.
      View in: PubMed   Mentions:    Fields:    
    154. Interaction potentials and rovibrational spectroscopy of He(N)-OCS complexes. J Chem Phys. 2004 Sep 01; 121(9):4180-92. Paesani F, Whaley KB. PMID: 15332966.
      View in: PubMed   Mentions: 1     Fields:    
    155. Transition from molecular complex to quantum solvation in 4HeNOCS. Phys Rev Lett. 2003 Feb 21; 90(7):073401. Paesani F, Viel A, Gianturco FA, Whaley KB. PMID: 12633226.
      View in: PubMed   Mentions:    Fields:    
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