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Refine search: Author Alavi, Shahrukh - (AERO-AERO)
 
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RSS feed 20  publications found
 
1. Guest-Host Hydrogen Bonding in Structure H Clathrate Hydrates NPArC # 16181450  
Search for Susilo, Robin; Search for Alavi, Saman; Search for Moudrakovski, Igor L.; Search for Englezos, Peter; Search for Ripmeester, John A.
ChemPhysChem, 10, 2009-03-23, p. 824-829
Resolve DOI: http://dx.doi.org/10.1002/cphc.200900024
Find@CISTI Guest-Host Hydrogen Bonding in Structure H Clathrate Hydrates NPArC # 16181450 (Opens in a new window)Find@CISTI Guest-Host Hydrogen Bonding in Structure H Clathrate Hydrates NPArC # 16181450
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2. Tunneling Splitting in the Double Proton Transfer Reaction of Gas Phase Ammonium and Alkylammonium Nitrates NPArC # 12328242  
Search for Taghikhani, M.; Search for Alavi, Shahrukh
Journal of Chemical Physics, submitted for publication., 2007
Find@CISTI Tunneling Splitting in the Double Proton Transfer Reaction of Gas Phase Ammonium and Alkylammonium Nitrates NPArC # 12328242 (Opens in a new window)Find@CISTI Tunneling Splitting in the Double Proton Transfer Reaction of Gas Phase Ammonium and Alkylammonium Nitrates NPArC # 12328242
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3. Free energies of carbon dioxide sequestration and methane recovery in clathrate hydrates NPArC # 12328193  
Search for Dornan, Peter; Search for Alavi, Saman; Search for Woo, T. K.
The Journal Of Chemical Physics, ISSN: 00219606, 127 (12), 2007-09-28, p. 124510-124510
Resolve DOI: http://dx.doi.org/10.1063/1.2769634
Find@CISTI Free energies of carbon dioxide sequestration and methane recovery in clathrate hydrates NPArC # 12328193 (Opens in a new window)Find@CISTI Free energies of carbon dioxide sequestration and methane recovery in clathrate hydrates NPArC # 12328193
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4. Surface Tensions in NaCl-Water-Air Systems from MD Simulations NPArC # 12328533  
Search for Bahadur, R.; Search for Russell, Liam; Search for Alavi, Shahrukh
Journal Of Physical Chemistry B - Condensed Phase, ISSN: 15206106, 111 (41), 2007-10-18, p. 11989-11996
Resolve DOI: http://dx.doi.org/10.1021/jp075356cS1520-6106(07)05356-4
Find@CISTI Surface Tensions in NaCl-Water-Air Systems from MD Simulations NPArC # 12328533 (Opens in a new window)Find@CISTI Surface Tensions in NaCl-Water-Air Systems from MD Simulations NPArC # 12328533
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5. Tuning Methane Content in Gas Hydrates via Thermodynamic and Molecular Dynamics Simulation. NPArC # 12327010  
Search for Susilo, Robin; Search for Alavi, Shahrukh; Search for Ripmeester, John; Search for Englezos, P.
submitted for publication, 2007
Find@CISTI Tuning Methane Content in Gas Hydrates via Thermodynamic and Molecular Dynamics Simulation. NPArC # 12327010 (Opens in a new window)Find@CISTI Tuning Methane Content in Gas Hydrates via Thermodynamic and Molecular Dynamics Simulation. NPArC # 12327010
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6. Low-pressure metastable phase of single-bonded polymeric nitrogen from a helical structure motif and first-principles calculations NPArC # 12327639  
Search for Zahariev, F.; Search for Hooper, J.; Search for Alavi, Shahrukh; Search for Zhang, F.; Search for Woo, T.
Phys. Rev. B, 75 (14), 2007-04-01, p. 140101-4
Resolve DOI: http://dx.doi.org/10.1103/PhysRevB.75.140101
Find@CISTI Low-pressure metastable phase of single-bonded polymeric nitrogen from a helical structure motif and first-principles calculations NPArC # 12327639 (Opens in a new window)Find@CISTI Low-pressure metastable phase of single-bonded polymeric nitrogen from a helical structure motif and first-principles calculations NPArC # 12327639
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7. Urea and Urea Nitrate Decomposition Pathways: A Quantum Chemistry Study NPArC # 12327715  
Search for Tokmakov, I.; Search for Alavi, Shahrukh; Search for Thompson, D.
J. Phys. Chem. A, ISSN: 1089-5639, 110 (8), 2006-03-02, p. 2759-2770
Resolve DOI: http://dx.doi.org/10.1021/jp0564647S1089-5639(05)06464-9
Find@CISTI Urea and Urea Nitrate Decomposition Pathways: A Quantum Chemistry Study NPArC # 12327715 (Opens in a new window)Find@CISTI Urea and Urea Nitrate Decomposition Pathways: A Quantum Chemistry Study NPArC # 12327715
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8. Simulations of Melting of Polyatomic Molecular and Ionic Solids and Nanoparticles NPArC # 12338684  
Search for Alavi, Shahrukh; Search for Thompson, D.
Molecular Simulation, 32, 2006, p. 999-999
Find@CISTI Simulations of Melting of Polyatomic Molecular and Ionic Solids and Nanoparticles NPArC # 12338684 (Opens in a new window)Find@CISTI Simulations of Melting of Polyatomic Molecular and Ionic Solids and Nanoparticles NPArC # 12338684
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9. A new expression for radial distribution function and infinite shear modulus of Lennard-Jones fluids NPArC # 12327558  
Search for Bamdad, M.; Search for Alavi, S.; Search for Najafi, B.; Search for Keshavarzi, E.
Chemical Physics, 325 (2-3), 2006-06-20, p. 554-562
Resolve DOI: http://dx.doi.org/10.1016/j.chemphys.2006.02.001
Find@CISTI A new expression for radial distribution function and infinite shear modulus of Lennard-Jones fluids NPArC # 12327558 (Opens in a new window)Find@CISTI A new expression for radial distribution function and infinite shear modulus of Lennard-Jones fluids NPArC # 12327558
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Share It A new expression for radial distribution function and infinite shear modulus of Lennard-Jones fluids NPArC # 12327558
 
10. Simulations of the Solid, Liquid, and Melting of 1-n-Butyl-4-amino-1,2,4-triazolium Bromide NPArC # 12327172  
Search for Alavi, Shahrukh; Search for Thompson, D.
Journal Of Physical Chemistry B - Condensed Phase, ISSN: 15206106, 109 (38), 2005-09-29, p. 18127-18134
Resolve DOI: http://dx.doi.org/10.1021/jp053613cS1089-5647(05)03613-8
Find@CISTI Simulations of the Solid, Liquid, and Melting of 1-n-Butyl-4-amino-1,2,4-triazolium Bromide NPArC # 12327172 (Opens in a new window)Find@CISTI Simulations of the Solid, Liquid, and Melting of 1-n-Butyl-4-amino-1,2,4-triazolium Bromide NPArC # 12327172
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11. Investigations of the Density Variation of Shear Relaxation Time of Fluids and Refrigerants NPArC # 12338210  
Search for Bamdad, M.; Search for Alavi, Shahrukh; Search for Najafi, B.; Search for Keshavarzi, E.
Canadian Journal of Chemistry, 83, 2005, p. 236-236
Find@CISTI Investigations of the Density Variation of Shear Relaxation Time of Fluids and Refrigerants NPArC # 12338210 (Opens in a new window)Find@CISTI Investigations of the Density Variation of Shear Relaxation Time of Fluids and Refrigerants NPArC # 12338210
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12. Molecular Dynamics Simulations of the Oxidation of Aluminum Nanoparticles NPArC # 12329032  
Search for Alavi, Shahrukh; Search for Mintmire, J.; Search for Thompson, D.
Journal Of Physical Chemistry B - Condensed Phase, ISSN: 15206106, 109 (1), 2005-01-13, p. 209-214
Resolve DOI: http://dx.doi.org/10.1021/jp046196xS1089-5647(04)06196-6
Find@CISTI Molecular Dynamics Simulations of the Oxidation of Aluminum Nanoparticles NPArC # 12329032 (Opens in a new window)Find@CISTI Molecular Dynamics Simulations of the Oxidation of Aluminum Nanoparticles NPArC # 12329032
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13. An Analytical Expression for the Shear Modulus and Relaxation Time of Hard-Sphere Fluids and its Extension for Lennard-Jones Fluids NPArC # 12339138  
Search for Keshavarzi, E.; Search for Vahedpour, M.; Search for Alavi, Shahrukh; Search for Najafi, B.
International Journal of Thermophysics, 25, 2004, p. 1747-1747
Find@CISTI An Analytical Expression for the Shear Modulus and Relaxation Time of Hard-Sphere Fluids and its Extension for Lennard-Jones Fluids NPArC # 12339138 (Opens in a new window)Find@CISTI An Analytical Expression for the Shear Modulus and Relaxation Time of Hard-Sphere Fluids and its Extension for Lennard-Jones Fluids NPArC # 12339138
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14. Effects of Alkyl-Group Substitution on the Proton-Transfer Barriers in Ammonium and Hydroxylammonium Nitrate Salts NPArC # 12327066  
Search for Alavi, Shahrukh; Search for Thompson, D.
J. Phys. Chem. A, ISSN: 1089-5639, 108 (41), 2004-10-14, p. 8801-8809
Resolve DOI: http://dx.doi.org/10.1021/jp040189rS1089-5639(04)00189-6
Find@CISTI Effects of Alkyl-Group Substitution on the Proton-Transfer Barriers in Ammonium and Hydroxylammonium Nitrate Salts NPArC # 12327066 (Opens in a new window)Find@CISTI Effects of Alkyl-Group Substitution on the Proton-Transfer Barriers in Ammonium and Hydroxylammonium Nitrate Salts NPArC # 12327066
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15. Adsorption of HCl on Single-Crystal α-Al2O3 (0001) Surface: A DFT Study NPArC # 12339102  
Search for Alavi, Shahrukh; Search for Sorescu, D.; Search for Thompson, D.
Journal Of Physical Chemistry B - Condensed Phase, ISSN: 15206106, 107 (1), 2003-01-09, p. 186-195
Resolve DOI: http://dx.doi.org/10.1021/jp021559jS1089-5647(02)01559-6
Find@CISTI Adsorption of HCl on Single-Crystal α-Al2O3 (0001) Surface: A DFT Study NPArC # 12339102 (Opens in a new window)Find@CISTI Adsorption of HCl on Single-Crystal α-Al2O3 (0001) Surface: A DFT Study NPArC # 12339102
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16. Application of the linear isotherm regularity to selected fluid systems NPArC # 12338045  
Search for Alavi, S.
International Journal of Thermophysics, 18 (4), 1997-07-24, p. 1035-1049
Resolve DOI: http://dx.doi.org/10.1007/BF02575247
Find@CISTI Application of the linear isotherm regularity to selected fluid systems NPArC # 12338045 (Opens in a new window)Find@CISTI Application of the linear isotherm regularity to selected fluid systems NPArC # 12338045
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17. Equal reaction rates for all recombination pathways NPArC # 12338474  
Search for Wei, G. W.; Search for Alavi, Saman; Search for Snider, R. F.
The Journal Of Chemical Physics, 106 (4), 1997-01-22, p. 1463-1466
Resolve DOI: http://dx.doi.org/10.1063/1.473294
Find@CISTI Equal reaction rates for all recombination pathways NPArC # 12338474 (Opens in a new window)Find@CISTI Equal reaction rates for all recombination pathways NPArC # 12338474
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18. Solid state kinetic parameters and mechanism for deamination-anation of trans-[Co(III)(acacen)(amine)2]NCS NPArC # 12328850  
Search for Amirnasr, M.; Search for Vafazadeh, R.; Search for Alavi, Shahrukh
Scientia Iranica, 4, 1997, p. 46-52
Find@CISTI Solid state kinetic parameters and mechanism for deamination-anation of trans-[Co(III)(acacen)(amine)2]NCS NPArC # 12328850 (Opens in a new window)Find@CISTI Solid state kinetic parameters and mechanism for deamination-anation of trans-[Co(III)(acacen)(amine)2]NCS NPArC # 12328850
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Share It Solid state kinetic parameters and mechanism for deamination-anation of trans-[Co(III)(acacen)(amine)2]NCS NPArC # 12328850
 
19. Prediction of the thermal conductivity of gases based on the Rainwater-Friend theory and a new corresponding states function NPArC # 12337892  
Search for Najafi, B.; Search for Araghi, R.; Search for Rainwater, J.; Search for Alavi, Shahrukh; Search for Snider, R.
Physica A, 275 (1), 1-01, p. 48-69(22)-48-69(22)
Resolve DOI: http://dx.doi.org/10.1016/S0378-4371(99)00413-6
Find@CISTI Prediction of the thermal conductivity of gases based on the Rainwater-Friend theory and a new corresponding states function NPArC # 12337892 (Opens in a new window)Find@CISTI Prediction of the thermal conductivity of gases based on the Rainwater-Friend theory and a new corresponding states function NPArC # 12337892
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20. Hydrogen and Deuterium Cage Occupancies in Clathrate Hydrates: Dynamics and Quantum Effects NPArC # 12328661  
Search for Zeng, H.; Search for Lu, Hailong; Search for Ratcliffe, Christopher; Search for Moudrakovski, Igor; Search for Alavi, Shahrukh; Search for Ripmeester, John
Submitted for publication
Find@CISTI Hydrogen and Deuterium Cage Occupancies in Clathrate Hydrates: Dynamics and Quantum Effects NPArC # 12328661 (Opens in a new window)Find@CISTI Hydrogen and Deuterium Cage Occupancies in Clathrate Hydrates: Dynamics and Quantum Effects NPArC # 12328661
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Date Created: 2010-03-29
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