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Refinado por: assunto: Inorganic, Organic, Physical And Analytical Chemistry remover
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A beginner's guide to the modern theory of polarization
A beginner's guide to the modern theory of polarization
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A beginner's guide to the modern theory of polarization

Spaldin, Nicola A.

Journal of solid state chemistry, 2012-11, Vol.195, p.2-10 [Periódico revisado por pares]

United States: Elsevier Inc

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The electronic structure of the antimony chalcogenide series: Prospects for optoelectronic applications
The electronic structure of the antimony chalcogenide series: Prospects for optoelectronic applications
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The electronic structure of the antimony chalcogenide series: Prospects for optoelectronic applications

Carey, John J. ; Allen, Jeremy P. ; Scanlon, David O. ; Watson, Graeme W.

Journal of solid state chemistry, 2014-05, Vol.213, p.116-125 [Periódico revisado por pares]

Amsterdam: Elsevier Inc

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3
Free-Standing Optical Gold Bowtie Nanoantenna with Variable Gap Size for Enhanced Raman Spectroscopy
Free-Standing Optical Gold Bowtie Nanoantenna with Variable Gap Size for Enhanced Raman Spectroscopy
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Free-Standing Optical Gold Bowtie Nanoantenna with Variable Gap Size for Enhanced Raman Spectroscopy

Hatab, Nahla A ; Hsueh, Chun-Hway ; Gaddis, Abigail L ; Retterer, Scott T ; Li, Jia-Han ; Eres, Gyula ; Zhang, Zhenyu ; Gu, Baohua

Nano letters, 2010-12, Vol.10 (12), p.4952-4955 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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4
Benchmark Energetic Data in a Model System for Grubbs II Metathesis Catalysis and Their Use for the Development, Assessment, and Validation of Electronic Structure Methods
Benchmark Energetic Data in a Model System for Grubbs II Metathesis Catalysis and Their Use for the Development, Assessment, and Validation of Electronic Structure Methods
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Benchmark Energetic Data in a Model System for Grubbs II Metathesis Catalysis and Their Use for the Development, Assessment, and Validation of Electronic Structure Methods

Zhao, Yan ; Truhlar, Donald G

Journal of Chemical Theory and Computation, 5(2):324-333, 2009-02, Vol.5 (2), p.324-333 [Periódico revisado por pares]

United States: American Chemical Society

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5
Perspective: Fifty years of density-functional theory in chemical physics
Perspective: Fifty years of density-functional theory in chemical physics
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Perspective: Fifty years of density-functional theory in chemical physics

Becke, Axel D

The Journal of chemical physics, 2014-05, Vol.140 (18), p.18A301-18A301 [Periódico revisado por pares]

United States: American Institute of Physics

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6
Hydroxide Degradation Pathways for Substituted Trimethylammonium Cations: A DFT Study
Hydroxide Degradation Pathways for Substituted Trimethylammonium Cations: A DFT Study
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Hydroxide Degradation Pathways for Substituted Trimethylammonium Cations: A DFT Study

Long, Hai ; Kim, Kwiseon ; Pivovar, Bryan S

Journal of physical chemistry. C, 2012-05, Vol.116 (17), p.9419-9426 [Periódico revisado por pares]

Columbus, OH: American Chemical Society

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7
Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory
Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory
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Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory

Riplinger, Christoph ; Pinski, Peter ; Becker, Ute ; Valeev, Edward F ; Neese, Frank

The Journal of chemical physics, 2016-01, Vol.144 (2), p.024109-024109 [Periódico revisado por pares]

United States: American Institute of Physics

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8
Oriented Assembled TiO2 Hierarchical Nanowire Arrays with Fast Electron Transport Properties
Oriented Assembled TiO2 Hierarchical Nanowire Arrays with Fast Electron Transport Properties
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Oriented Assembled TiO2 Hierarchical Nanowire Arrays with Fast Electron Transport Properties

Sheng, Xia ; He, Dongqing ; Yang, Jie ; Zhu, Kai ; Feng, Xinjian

Nano Letters, 2014-04, Vol.14 (4), p.1848-1852 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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9
Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals
Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals
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Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals

Pinski, Peter ; Riplinger, Christoph ; Valeev, Edward F ; Neese, Frank

The Journal of chemical physics, 2015-07, Vol.143 (3), p.034108-034108 [Periódico revisado por pares]

United States

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10
Orbital Reconstruction and Covalent Bonding at an Oxide Interface
Orbital Reconstruction and Covalent Bonding at an Oxide Interface
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Orbital Reconstruction and Covalent Bonding at an Oxide Interface

Chakhalian, J ; Freeland, J.W ; Habermeier, H.-U ; Cristiani, G ; Khaliullin, G ; van Veenendaal, M ; Keimer, B

Science (American Association for the Advancement of Science), 2007-11, Vol.318 (5853), p.1114-1117 [Periódico revisado por pares]

Washington, DC: American Association for the Advancement of Science

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