Paesani F - Search Results

1

Unveiling Unexpected Modulator-CO₂ Dynamics within a Zirconium Metal-Organic Framework.

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. Rayder TM, et al. Among authors: paesani f. J Am Chem Soc. 2023 May 24;145(20):11195-11205. doi: 10.1021/jacs.3c01146. Epub 2023 May 15. J Am Chem Soc. 2023. PMID: 37186787

2

Thermodynamics of water dimer dissociation in the primary hydration shell of the iodide ion with temperature-dependent vibrational predissociation spectroscopy.

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. Wolke CT, et al. Among authors: paesani f. J Phys Chem A. 2015 Mar 12;119(10):1859-66. doi: 10.1021/jp510250n. Epub 2015 Feb 20. J Phys Chem A. 2015. PMID: 25647222

3

Correction to "Nature of Alkali Ion-Water Interactions: Insights from Many-Body Representations and Density Functional Theory. II".

Egan CK, Bizzarro BB, Riera M, Paesani F. Egan CK, et al. Among authors: paesani f. J Chem Theory Comput. 2020 Aug 11;16(8):5422-5424. doi: 10.1021/acs.jctc.0c00713. Epub 2020 Jul 23. J Chem Theory Comput. 2020. PMID: 32701284 No abstract available.

4

Nonlinear quantum time correlation functions from centroid molecular dynamics and the maximum entropy method.

Paesani F, Voth GA. Paesani F, et al. J Chem Phys. 2008 Nov 21;129(19):194113. doi: 10.1063/1.3013365. J Chem Phys. 2008. PMID: 19026051

5

Onset of superfluidity in small CO2(4He)N clusters.

Paesani F, Kwon Y, Whaley KB. Paesani F, et al. Phys Rev Lett. 2005 Apr 22;94(15):153401. doi: 10.1103/PhysRevLett.94.153401. Epub 2005 Apr 22. Phys Rev Lett. 2005. PMID: 15904142

6

An accurate and simple quantum model for liquid water.

Paesani F, Zhang W, Case DA, Cheatham TE 3rd, Voth GA. Paesani F, et al. J Chem Phys. 2006 Nov 14;125(18):184507. doi: 10.1063/1.2386157. J Chem Phys. 2006. PMID: 17115765

7

Transition from molecular complex to quantum solvation in 4HeNOCS.

Paesani F, Viel A, Gianturco FA, Whaley KB. Paesani F, et al. Phys Rev Lett. 2003 Feb 21;90(7):073401. doi: 10.1103/PhysRevLett.90.073401. Epub 2003 Feb 20. Phys Rev Lett. 2003. PMID: 12633226

8

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.

Riera M, Brown SE, Paesani F. Riera M, et al. Among authors: paesani f. J Phys Chem A. 2018 Jul 12;122(27):5811-5821. doi: 10.1021/acs.jpca.8b04106. Epub 2018 Jun 29. J Phys Chem A. 2018. PMID: 29897757

9

Rovibrational spectra for the HCCCN*HCN and HCN*HCCCN binary complexes in 4He droplets.

Paesani F, Whaley KB, Douberly GE, Miller RE. Paesani F, et al. J Phys Chem A. 2007 Aug 9;111(31):7516-28. doi: 10.1021/jp072100y. Epub 2007 Jun 27. J Phys Chem A. 2007. PMID: 17595066

10

Nature of Halide-Water Interactions: Insights from Many-Body Representations and Density Functional Theory.

Bizzarro BB, Egan CK, Paesani F. Bizzarro BB, et al. Among authors: paesani f. J Chem Theory Comput. 2019 May 14;15(5):2983-2995. doi: 10.1021/acs.jctc.9b00064. Epub 2019 Apr 4. J Chem Theory Comput. 2019. PMID: 30913392

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