Longo RL - Search Results

1

Topological analyses and small-world patterns of hydrogen bond networks in water + t-butanol, water + n-butanol and water + ammonia mixtures.

da Silva JA, Moreira FG, dos Santos VM, Longo RL. da Silva JA, et al. Among authors: longo rl. Phys Chem Chem Phys. 2014 Sep 28;16(36):19479-91. doi: 10.1039/c4cp02130d. Phys Chem Chem Phys. 2014. PMID: 25102974

2

Hydrogen bond networks in water and methanol with varying interaction strengths.

da Silva JA, Moreira FG, Dos Santos VM, Longo RL. da Silva JA, et al. Among authors: longo rl. Phys Chem Chem Phys. 2011 Jan 14;13(2):593-603. doi: 10.1039/c0cp01204a. Epub 2010 Nov 1. Phys Chem Chem Phys. 2011. PMID: 21042611

3

On the hydrogen bond networks in the water-methanol mixtures: topology, percolation and small-world.

da Silva JA, Moreira FG, dos Santos VM, Longo RL. da Silva JA, et al. Among authors: longo rl. Phys Chem Chem Phys. 2011 Apr 14;13(14):6452-61. doi: 10.1039/c0cp01802c. Epub 2011 Mar 7. Phys Chem Chem Phys. 2011. PMID: 21383999

4

Assessment of density-functionals for describing the X(-) + CH3ONO2 gas-phase reactions with X = F, OH, CH2CN.

Proenza YG, de Souza MA, Ventura E, do Monte SA, Longo RL. Proenza YG, et al. Among authors: longo rl. Phys Chem Chem Phys. 2014 Dec 28;16(48):26769-78. doi: 10.1039/c4cp03674c. Phys Chem Chem Phys. 2014. PMID: 25372179

5

Features of chemical bonds based on the overlap polarizabilities: diatomic and solid-state systems with the frozen-density embedding approach.

Moura RT Jr, Duarte GC, da Silva TE, Malta OL, Longo RL. Moura RT Jr, et al. Among authors: longo rl. Phys Chem Chem Phys. 2015 Mar 28;17(12):7731-42. doi: 10.1039/c4cp05283h. Phys Chem Chem Phys. 2015. PMID: 25712634

6

Temperature Dependence of Hydrogen Bond Networks of Liquid Water: Thermodynamic Properties and Structural Heterogeneity from Topological Descriptors.

de Oliveira PMC, de Souza JIR, da Silva JAB, Longo RL. de Oliveira PMC, et al. Among authors: longo rl. J Phys Chem B. 2023 Mar 16;127(10):2250-2257. doi: 10.1021/acs.jpcb.2c08873. Epub 2023 Mar 6. J Phys Chem B. 2023. PMID: 36877152

7

Theoretical insights into the vibrational spectra and chemical bonding of Ln(III) complexes with a tripodal N₄O₃ ligand along the lanthanide series.

Machado FC, Quintano M, Santos-Jr CV, Carneiro Neto AN, Kraka E, Longo RL, Moura RT Jr. Machado FC, et al. Among authors: longo rl. Phys Chem Chem Phys. 2024 Nov 19. doi: 10.1039/d4cp03677h. Online ahead of print. Phys Chem Chem Phys. 2024. PMID: 39560452

8

PICVib: an accurate, fast and simple procedure to investigate selected vibrational modes and evaluate infrared intensities.

dos Santos MV, Proenza YG, Longo RL. dos Santos MV, et al. Among authors: longo rl. Phys Chem Chem Phys. 2014 Sep 7;16(33):17670-80. doi: 10.1039/c4cp02279c. Phys Chem Chem Phys. 2014. PMID: 25027541

9

Molecular Dynamics Simulations of Specific Anion Adsorption on Sulfobetaine (SB3-14) Micelles.

Santos DP, Longo RL. Santos DP, et al. Among authors: longo rl. J Phys Chem B. 2016 Mar 17;120(10):2771-80. doi: 10.1021/acs.jpcb.5b12475. Epub 2016 Mar 7. J Phys Chem B. 2016. PMID: 26907972

10

Structural and relative energy assessments of DFT functionals and the MP2 method to describe the gas phase methylation of nitronates: [R(1)R(2)CNO2](-) + CH3I.

Mahmood A, Longo RL. Mahmood A, et al. Among authors: longo rl. Phys Chem Chem Phys. 2016 Jun 22;18(25):17062-70. doi: 10.1039/c5cp07833d. Phys Chem Chem Phys. 2016. PMID: 27299164

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