Alavi ST - Search Results

1

Coulomb Explosion Dynamics of Chlorocarbonylsulfenyl Chloride.

Cooper GA, Alavi ST, Li W, Lee SK, Suits AG. Cooper GA, et al. Among authors: alavi st. J Phys Chem A. 2021 Jul 1;125(25):5481-5489. doi: 10.1021/acs.jpca.1c02332. Epub 2021 Jun 17. J Phys Chem A. 2021. PMID: 34138560

2

Urea and urea nitrate decomposition pathways: a quantum chemistry study.

Tokmakov IV, Alavi S, Thompson DL. Tokmakov IV, et al. J Phys Chem A. 2006 Mar 2;110(8):2759-70. doi: 10.1021/jp0564647. J Phys Chem A. 2006. PMID: 16494387

3

Molecular dynamics simulations of the oxidation of aluminum nanoparticles.

Alavi S, Mintmire JW, Thompson DL. Alavi S, et al. J Phys Chem B. 2005 Jan 13;109(1):209-14. doi: 10.1021/jp046196x. J Phys Chem B. 2005. PMID: 16851006

4

Mixed transitions in the UV photodissociation of propargyl chloride revealed by slice imaging and multireference ab initio calculations.

Foley CD , Joalland B , Alavi ST , Suits AG . Foley CD , et al. Among authors: alavi st. Phys Chem Chem Phys. 2018 Nov 7;20(43):27474-27481. doi: 10.1039/c8cp04596h. Phys Chem Chem Phys. 2018. PMID: 30358773

5

Imaging the infrared multiphoton excitation and dissociation of propargyl chloride.

Foley CD , Alavi ST , Joalland B , Broderick BM , Dias N , Suits AG . Foley CD , et al. Among authors: alavi st. Phys Chem Chem Phys. 2019 Jan 21;21(3):1528-1535. doi: 10.1039/c8cp06668j. Epub 2019 Jan 8. Phys Chem Chem Phys. 2019. PMID: 30617359

6

Methane Clathrate Formation is Catalyzed and Kinetically Inhibited by the Same Molecule: Two Facets of Methanol.

Su Z, Alavi S, Ripmeester JA, Wolosh G, Dias CL. Su Z, et al. J Phys Chem B. 2021 Apr 29;125(16):4162-4168. doi: 10.1021/acs.jpcb.1c01274. Epub 2021 Apr 16. J Phys Chem B. 2021. PMID: 33861613

7

Molecular dynamics simulations of equilibrium and transport properties of amino acid-based room temperature ionic liquids.

Sirjoosingh A, Alavi S, Woo TK. Sirjoosingh A, et al. J Phys Chem B. 2009 Jun 11;113(23):8103-13. doi: 10.1021/jp808882s. J Phys Chem B. 2009. PMID: 19453132

8

Molecular modeling of the dissociation of methane hydrate in contact with a silica surface.

Bagherzadeh SA, Englezos P, Alavi S, Ripmeester JA. Bagherzadeh SA, et al. J Phys Chem B. 2012 Mar 15;116(10):3188-97. doi: 10.1021/jp2086544. Epub 2012 Mar 6. J Phys Chem B. 2012. PMID: 22369505

9

Characterization of the Clathrate Hydrate Formed with Fluoromethane and Pinacolone: The Thermodynamic Stability and Volumetric Behavior of the Structure H Binary Hydrate.

Kondo Y, Alavi S, Takeya S, Ohmura R. Kondo Y, et al. J Phys Chem B. 2021 Jan 14;125(1):328-337. doi: 10.1021/acs.jpcb.0c09818. Epub 2020 Dec 24. J Phys Chem B. 2021. PMID: 33356275

10

Molecular dynamics simulation of (13)C NMR powder lineshapes of CO in structure I clathrate hydrate.

Mohammadi-Manesh H, Alavi S, Woo TK, Ashrafizaadeh M, Najafi B. Mohammadi-Manesh H, et al. Phys Chem Chem Phys. 2009 Oct 21;11(39):8821-8. doi: 10.1039/b905233j. Epub 2009 Jul 31. Phys Chem Chem Phys. 2009. PMID: 20449028

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