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Density functional theory study of Al23, Al26 and Al92 clusters

Journal of physics. B, Atomic, molecular, and optical physics, 2009-06, Vol.42 (12), p.125103-125103 (11)

2009

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Surface Oxide Characterization and Interface Evolution in Atomic Layer Deposition of Al2O3 on InP(100) Studied by in Situ Infrared Spectroscopy

Journal of physical chemistry. C, 2014-03, Vol.118 (11), p.5862-5871

2014

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Surface-Enhanced Raman Spectra of Phthalimide. Interpretation of the SERS Spectra of the Surface Complex Formed on Silver Islands and Colloids

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-10, Vol.104 (42), p.9500-9505

2000

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Nature of Hydrophilic Aluminum Fluoride and Oxyaluminum Fluoride Surfaces Resulting from XeF2 Treatment of Al and Al2O3

Journal of physical chemistry. C, 2011-11, Vol.115 (43), p.21351-21357

2011

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Molecular Orbital Study of the First Excited State of the OLED Material Tris(8-hydroxyquinoline)aluminum(III)

Chemistry of materials, 2001-08, Vol.13 (8), p.2632-2640

2001

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Density functional theory study of Al 23 , Al 26 and Al 92 clusters

Journal of physics. B, Atomic, molecular, and optical physics, 2009-06, Vol.42 (12), p.125103

2009

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Structure and infrared (IR) assignments for the OLED material: N, N'-diphenyl-N, N'-bis(1-naphthyl)-1,1'-biphenyl-4,4-diamine (NPB)

Physical chemistry chemical physics : PCCP, 2001, Vol.3 (11), p.2131-2136

2001

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Ab initio calculation of the a 3Σu+interaction potential and vibrational levels of 7Li2

Chemical physics letters, 2001-05, Vol.339 (5-6), p.427-432

2001

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Surface Oxide Characterization and Interface Evolution in Atomic Layer Deposition of Al 2 O 3 on InP(100) Studied by in Situ Infrared Spectroscopy

Journal of physical chemistry. C, 2014-03, Vol.118 (11), p.5862-5871

2014

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Noncovalent Engineering of Carbon Nanotube Surfaces by Rigid, Functional Conjugated Polymers

Journal of the American Chemical Society, 2002-08, Vol.124 (31), p.9034-9035

2002

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Water alignment and proton conduction inside carbon nanotubes

Physical review letters, 2003-05, Vol.90 (19), p.195503-195503, Article 195503

2003

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Chemical Nature and Control of High-k Dielectric/III-V Interfaces

ECS transactions, 2015-04, Vol.66 (6), p.65-76

2015

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Harmonic frequency scaling factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP, B3-PW91 and MP2 with the Sadlej pVTZ electric property basis set

Theoretical chemistry accounts, 2001-05, Vol.105 (6), p.413-421

2001

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XeF 2 -induced removal of SiO 2 near Si surfaces at 300 K:An unexpected proximity effect

Journal of applied physics, 2010-12, Vol.108 (11), p.114914-114914-11

2010

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XeF 2 -induced removal of SiO2 near Si surfaces at 300 K: An unexpected proximity effect

Journal of applied physics, 2010-12, Vol.108 (11)

2010

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Nature of Hydrophilic Aluminum Fluoride and Oxyaluminum Fluoride Surfaces Resulting from XeF 2 Treatment of Al and Al 2 O 3

Journal of physical chemistry. C, 2011-11, Vol.115 (43), p.21351-21357

2011

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Chemistry Inside Carbon Nanotubes: the Menshutkin SN2 Reaction

The journal of physical chemistry. B, 2002-02, Vol.106 (8), p.1921-1925

2002

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Discovery of New Anode SEI Forming Additives Using an in silico Evolutionary Approach

ECS transactions, 2015-09, Vol.69 (1), p.67-74

2015

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Objective volumetric grading of postacne scarring

Journal of the American Academy of Dermatology, 2016-07, Vol.75 (1), p.229-231

2016

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Comparison study of the prediction of Raman intensities using electronic structure methods

The Journal of chemical physics, 1999-11, Vol.111 (19), p.8819-8824

1999

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Comparison of the performance of local, gradient-corrected, and hybrid density functional models in predicting infrared intensities

The Journal of chemical physics, 1998-12, Vol.109 (24), p.10587-10593

1998

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Molecular Dynamics Motivated Maxwell Element Spring Nonlinearity

Challenges in Mechanics of Time Dependent Materials, Volume 2, 2017, p.79-82

2017

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Chemical failure modes of AlQ3-based OLEDs : AlQ3 hydrolysis

Physical chemistry chemical physics : PCCP, 2006-01, Vol.8 (12), p.1371-1377

2006

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Importance of Steric Effects in Cluster Models of Silicon Surface Chemistry: ONIOM Studies of the Atomic Layer Deposition (ALD) of Al2O3 on H/Si(111)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-04, Vol.108 (15), p.2982-2987

2004

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Chlorination of hydrogen-terminated silicon (111) surfaces

Journal of vacuum science & technology. A, Vacuum, surfaces, and films, 2005-07, Vol.23 (4), p.1100-1106

2005

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Density functional theory study of Al23, Al26 and Al92 clusters

Surface Oxide Characterization and Interface Evolution in Atomic Layer Deposition of Al2O3 on InP(100) Studied by in Situ Infrared Spectroscopy

Surface-Enhanced Raman Spectra of Phthalimide. Interpretation of the SERS Spectra of the Surface Complex Formed on Silver Islands and Colloids

Nature of Hydrophilic Aluminum Fluoride and Oxyaluminum Fluoride Surfaces Resulting from XeF2 Treatment of Al and Al2O3

Molecular Orbital Study of the First Excited State of the OLED Material Tris(8-hydroxyquinoline)aluminum(III)

Density functional theory study of Al 23 , Al 26 and Al 92 clusters

Structure and infrared (IR) assignments for the OLED material: N, N'-diphenyl-N, N'-bis(1-naphthyl)-1,1'-biphenyl-4,4-diamine (NPB)

Ab initio calculation of the a 3Σu+interaction potential and vibrational levels of 7Li2

Surface Oxide Characterization and Interface Evolution in Atomic Layer Deposition of Al 2 O 3 on InP(100) Studied by in Situ Infrared Spectroscopy

Noncovalent Engineering of Carbon Nanotube Surfaces by Rigid, Functional Conjugated Polymers

Water alignment and proton conduction inside carbon nanotubes

Chemical Nature and Control of High-k Dielectric/III-V Interfaces

Harmonic frequency scaling factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP, B3-PW91 and MP2 with the Sadlej pVTZ electric property basis set

XeF 2 -induced removal of SiO 2 near Si surfaces at 300 K:An unexpected proximity effect

XeF 2 -induced removal of SiO2 near Si surfaces at 300 K: An unexpected proximity effect

Nature of Hydrophilic Aluminum Fluoride and Oxyaluminum Fluoride Surfaces Resulting from XeF 2 Treatment of Al and Al 2 O 3

Chemistry Inside Carbon Nanotubes: the Menshutkin SN2 Reaction

Discovery of New Anode SEI Forming Additives Using an in silico Evolutionary Approach

Objective volumetric grading of postacne scarring

Comparison study of the prediction of Raman intensities using electronic structure methods

Comparison of the performance of local, gradient-corrected, and hybrid density functional models in predicting infrared intensities

Molecular Dynamics Motivated Maxwell Element Spring Nonlinearity

Chemical failure modes of AlQ3-based OLEDs : AlQ3 hydrolysis

Importance of Steric Effects in Cluster Models of Silicon Surface Chemistry: ONIOM Studies of the Atomic Layer Deposition (ALD) of Al2O3 on H/Si(111)

Chlorination of hydrogen-terminated silicon (111) surfaces

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