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A review on C1s XPS-spectra for some kinds of carbon materials
A review on C1s XPS-spectra for some kinds of carbon materials
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A review on C1s XPS-spectra for some kinds of carbon materials

Chen, Xiangnan ; Wang, Xiaohui ; Fang, De

Fullerenes, nanotubes, and carbon nanostructures, 2020-12, Vol.28 (12), p.1048-1058 [Periódico revisado por pares]

Taylor & Francis

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Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space
Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space
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Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space

Hansen, Katja ; Biegler, Franziska ; Ramakrishnan, Raghunathan ; Pronobis, Wiktor ; von Lilienfeld, O. Anatole ; Müller, Klaus-Robert ; Tkatchenko, Alexandre

The journal of physical chemistry letters, 2015-06, Vol.6 (12), p.2326-2331 [Periódico revisado por pares]

United States: American Chemical Society

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3
Accurate and Efficient ab Initio Calculations for Supramolecular Complexes: Symmetry-Adapted Perturbation Theory with Many-Body Dispersion
Accurate and Efficient ab Initio Calculations for Supramolecular Complexes: Symmetry-Adapted Perturbation Theory with Many-Body Dispersion
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Accurate and Efficient ab Initio Calculations for Supramolecular Complexes: Symmetry-Adapted Perturbation Theory with Many-Body Dispersion

Carter-Fenk, Kevin ; Lao, Ka Un ; Liu, Kuan-Yu ; Herbert, John M

The journal of physical chemistry letters, 2019-06, Vol.10 (11), p.2706-2714 [Periódico revisado por pares]

United States: American Chemical Society

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4
2D-NLDFT adsorption models for carbon slit-shaped pores with surface energetical heterogeneity and geometrical corrugation
2D-NLDFT adsorption models for carbon slit-shaped pores with surface energetical heterogeneity and geometrical corrugation
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2D-NLDFT adsorption models for carbon slit-shaped pores with surface energetical heterogeneity and geometrical corrugation

Jagiello, Jacek ; Olivier, James P.

Carbon (New York), 2013-04, Vol.55, p.70-80 [Periódico revisado por pares]

Kidlington: Elsevier Ltd

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5
ELASR – An electrostatic storage ring for atomic and molecular physics at KACST
ELASR – An electrostatic storage ring for atomic and molecular physics at KACST
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ELASR – An electrostatic storage ring for atomic and molecular physics at KACST

El Ghazaly, Mohamed O.A.

Results in physics, 2015-01, Vol.5 (C), p.60-61 [Periódico revisado por pares]

Elsevier

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6
Investigation of Graphene/Ag Nanocomposites Synthesis Parameters for Two Different Synthesis Methods
Investigation of Graphene/Ag Nanocomposites Synthesis Parameters for Two Different Synthesis Methods
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Investigation of Graphene/Ag Nanocomposites Synthesis Parameters for Two Different Synthesis Methods

Çiplak, Zafer ; Yildiz, Nuray ; Çalimli, Ayla

Fullerenes, nanotubes, and carbon nanostructures, 2015-04, Vol.23 (4), p.361-370 [Periódico revisado por pares]

Taylor & Francis

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7
Variational Formulation of the Generalized Many-Body Expansion with Self-Consistent Charge Embedding: Simple and Correct Analytic Energy Gradient for Fragment-Based ab Initio Molecular Dynamics
Variational Formulation of the Generalized Many-Body Expansion with Self-Consistent Charge Embedding: Simple and Correct Analytic Energy Gradient for Fragment-Based ab Initio Molecular Dynamics
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Variational Formulation of the Generalized Many-Body Expansion with Self-Consistent Charge Embedding: Simple and Correct Analytic Energy Gradient for Fragment-Based ab Initio Molecular Dynamics

Liu, Jie ; Rana, Bhaskar ; Liu, Kuan-Yu ; Herbert, John M

The journal of physical chemistry letters, 2019-07, Vol.10 (14), p.3877-3886 [Periódico revisado por pares]

United States: American Chemical Society

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8
Transverse Conductance of DNA Nucleotides in a Graphene Nanogap from First Principles
Transverse Conductance of DNA Nucleotides in a Graphene Nanogap from First Principles
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Transverse Conductance of DNA Nucleotides in a Graphene Nanogap from First Principles

Prasongkit, Jariyanee ; Grigoriev, Anton ; Pathak, Biswarup ; Ahuja, Rajeev ; Scheicher, Ralph H

Nano letters, 2011-05, Vol.11 (5), p.1941-1945 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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9
A fast and robust algorithm for Bader decomposition of charge density
A fast and robust algorithm for Bader decomposition of charge density
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A fast and robust algorithm for Bader decomposition of charge density

Henkelman, Graeme ; Arnaldsson, Andri ; Jónsson, Hannes

Computational materials science, 2006-06, Vol.36 (3), p.354-360 [Periódico revisado por pares]

Amsterdam: Elsevier B.V

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10
Differences in the Vibrational Dynamics of H2O and D2O: Observation of Symmetric and Antisymmetric Stretching Vibrations in Heavy Water
Differences in the Vibrational Dynamics of H2O and D2O: Observation of Symmetric and Antisymmetric Stretching Vibrations in Heavy Water
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Differences in the Vibrational Dynamics of H2O and D2O: Observation of Symmetric and Antisymmetric Stretching Vibrations in Heavy Water

De Marco, Luigi ; Carpenter, William ; Liu, Hanchao ; Biswas, Rajib ; Bowman, Joel M ; Tokmakoff, Andrei

The journal of physical chemistry letters, 2016-05, Vol.7 (10), p.1769-1774 [Periódico revisado por pares]

United States: American Chemical Society

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