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Ab initio calculation of energy levels for phosphorus donors in silicon

Scientific reports, 2017-07, Vol.7 (1), p.6010-11, Article 6010

2017

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Simulating the fabrication of aluminium oxide tunnel junctions

npj quantum information, 2021-01, Vol.7 (1), p.1-12, Article 12

2021

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Optical properties of a conjugated-polymer-sensitised solar cell: the effect of interfacial structure

Physical chemistry chemical physics : PCCP, 2015-06, Vol.17 (22), p.14489-14494

2015

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Effect of nitrogen and intrinsic defect complexes on conversion efficiency of ZnO for hydrogen generation from water

Physical chemistry chemical physics : PCCP, 2011-09, Vol.13 (35), p.15973-15976

2011

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Stability and Transformations of Heated Gold Nanorods

Journal of physical chemistry. C, 2011-03, Vol.115 (11), p.4375-4380

2011

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Morphological and phase stability of zinc blende, amorphous and mixed core-shell ZnS nanoparticles

Nanoscale, 2010-01, Vol.2 (10), p.2294-2301

2010

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Modeling radiative and non-radiative pathways at both the Franck–Condon and Herzberg–Teller approximation level

The Journal of chemical physics, 2021-08, Vol.155 (5), p.054108-054108

2021

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Singlet Exciton Dynamics of Perylene Diimide- and Tetracene-Based Hetero/Homogeneous Substrates via an Ab Initio Kinetic Monte Carlo Model

Journal of physical chemistry. C, 2021-11, Vol.125 (43), p.23646-23656

2021

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A kinetic Monte Carlo study of Pt on Au(111) with applications to bimetallic catalysis

Journal of physics. Condensed matter, 2011-01, Vol.23 (1), p.015302-11

2011

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Structure and Energetics of Single-Walled Armchair and Zigzag Silicon Nanotubes

The journal of physical chemistry. B, 2003-08, Vol.107 (31), p.7577-7581

2003

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Safe, stable and effective nanotechnology: phase mapping of ZnS nanoparticles

Journal of materials chemistry, 2010-01, Vol.2 (24), p.4971-498

2010

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Size dependent phase stability of carbon nanoparticles: Nanodiamond versus fullerenes

The Journal of chemical physics, 2003-03, Vol.118 (11), p.5094-5097

2003

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Effect of Length on the Diffusion of a Rodlike Polymer at Concentrations Spanning the Isotropic−Lyotropic Transition

The journal of physical chemistry. B, 2010-04, Vol.114 (14), p.4777-4782

2010

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Comparison of density-functional, tight-binding, and empirical methods for the simulation of amorphous carbon

Physical review. B, Condensed matter, 2002-02, Vol.65 (7), Article 075411

2002

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Structural relaxation and relative stability of nanodiamond morphologies

Diamond and related materials, 2003-10, Vol.12 (10), p.1867-1872

2003

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Vacancy induced formation of nanoporous silicon, carbon and silicon carbide

Physical chemistry chemical physics : PCCP, 2019-03, Vol.21 (12), p.6517-6524

2019

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Ab Initio Modeling of Diamond Nanowire Structures

Nano letters, 2003-10, Vol.3 (10), p.1323-1328

2003

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Electronic properties of δ -doped Si:P and Ge:P layers in the high-density limit using a Thomas-Fermi method

Physical review. B, Condensed matter and materials physics, 2014-01, Vol.89 (3), Article 035306

2014

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Effect of type 2 diabetes on plasma kallikrein activity after physical exercise and its relationship to post-exercise hypotension

Diabetes & metabolism, 2010-11, Vol.36 (5), p.363-368

2010

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Shape and Thermodynamic Stability of Pyrite FeS2 Nanocrystals and Nanorods

Journal of physical chemistry. C, 2007-08, Vol.111 (31), p.11742-11746

2007

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The effect of grain refining on macrosegregation and dendrite arm spacing of direct chill cast AA5182

Metallurgical and materials transactions. A, Physical metallurgy and materials science, 2003-07, Vol.34 (7), p.1513-1523

2003

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Effect of atomic structure on the electrical response of aluminum oxide tunnel junctions

Physical review research, 2020-01, Vol.2 (1), Article 013110

2020

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HRMC_2.1: Hybrid Reverse Monte Carlo method with silicon, carbon, germanium and silicon carbide potentials

Computer physics communications, 2014-06, Vol.185 (6), p.1854-1855

2014

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Accurate calculation of excitonic signatures in the absorption spectrum of BiSBr using semiconductor Bloch equations

Physical review. B, 2021-03, Vol.103 (11), p.1, Article 115203

2021

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Intra-amygdala microinjections of chlorpheniramine impair memory formation or memory retrieval in anxiety- and fear-mediated models

Brain research bulletin, 2016-07, Vol.125, p.127-133

2016

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Ab initio calculation of energy levels for phosphorus donors in silicon

Simulating the fabrication of aluminium oxide tunnel junctions

Optical properties of a conjugated-polymer-sensitised solar cell: the effect of interfacial structure

Effect of nitrogen and intrinsic defect complexes on conversion efficiency of ZnO for hydrogen generation from water

Stability and Transformations of Heated Gold Nanorods

Morphological and phase stability of zinc blende, amorphous and mixed core-shell ZnS nanoparticles

Modeling radiative and non-radiative pathways at both the Franck–Condon and Herzberg–Teller approximation level

Singlet Exciton Dynamics of Perylene Diimide- and Tetracene-Based Hetero/Homogeneous Substrates via an Ab Initio Kinetic Monte Carlo Model

A kinetic Monte Carlo study of Pt on Au(111) with applications to bimetallic catalysis

Structure and Energetics of Single-Walled Armchair and Zigzag Silicon Nanotubes

Safe, stable and effective nanotechnology: phase mapping of ZnS nanoparticles

Size dependent phase stability of carbon nanoparticles: Nanodiamond versus fullerenes

Effect of Length on the Diffusion of a Rodlike Polymer at Concentrations Spanning the Isotropic−Lyotropic Transition

Comparison of density-functional, tight-binding, and empirical methods for the simulation of amorphous carbon

Structural relaxation and relative stability of nanodiamond morphologies

Vacancy induced formation of nanoporous silicon, carbon and silicon carbide

Ab Initio Modeling of Diamond Nanowire Structures

Electronic properties of δ -doped Si:P and Ge:P layers in the high-density limit using a Thomas-Fermi method

Effect of type 2 diabetes on plasma kallikrein activity after physical exercise and its relationship to post-exercise hypotension

Shape and Thermodynamic Stability of Pyrite FeS2 Nanocrystals and Nanorods

The effect of grain refining on macrosegregation and dendrite arm spacing of direct chill cast AA5182

Effect of atomic structure on the electrical response of aluminum oxide tunnel junctions

HRMC_2.1: Hybrid Reverse Monte Carlo method with silicon, carbon, germanium and silicon carbide potentials

Accurate calculation of excitonic signatures in the absorption spectrum of BiSBr using semiconductor Bloch equations

Intra-amygdala microinjections of chlorpheniramine impair memory formation or memory retrieval in anxiety- and fear-mediated models

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