UB Paderborn / Katalog / Suche / in CDI

Diameter Dependence of the Excitation Spectra of Silver and Gold Nanorods

Journal of physical chemistry. C, 2013-06, Vol.117 (23), p.12325-12336

2013

Volltextzugriff (PDF)

Origin and TDDFT Benchmarking of the Plasmon Resonance in Acenes

Journal of physical chemistry. C, 2013-10, Vol.117 (41), p.21466-21475

2013

Volltextzugriff (PDF)

Quantum coherent plasmon in silver nanowires: a real-time TDDFT study

The Journal of chemical physics, 2014-06, Vol.140 (24), p.244705-244705

2014

Volltextzugriff (PDF)

Photoluminescence Origin of Au38(SR)24 and Au22(SR)18 Nanoparticles: A Theoretical Perspective

Journal of physical chemistry. C, 2017-07, Vol.121 (28), p.15416-15423

2017

Volltextzugriff (PDF)

Quasi-atomic orbital analysis of halogen bonding interactions

The Journal of chemical physics, 2023-11, Vol.159 (19)

Guidez, Emilie B.

2023

Volltextzugriff (PDF)

Time-Dependent Density Functional Theory Study of the Luminescence Properties of Gold Phosphine Thiolate Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-04, Vol.119 (14), p.3337-3347

2015

Volltextzugriff (PDF)

Theoretical Investigation of Relaxation Dynamics in Au38(SH)24 Thiolate-Protected Gold Nanoclusters

Journal of physical chemistry. C, 2018-07, Vol.122 (28), p.16380-16388

2018

Volltextzugriff (PDF)

Quantum Mechanical Modeling of the Interactions between Noble Metal (Ag and Au) Nanoclusters and Water with the Effective Fragment Potential Method

ACS omega, 2020-04, Vol.5 (13), p.7446-7455

2020

Volltextzugriff (PDF)

Accuracy of the PM6 and PM7 Methods on Bare and Thiolate-Protected Gold Nanoclusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-04, Vol.124 (13), p.2601-2615

2020

Volltextzugriff (PDF)

Quantum mechanical origin of the plasmon: from molecular systems to nanoparticles

Nanoscale, 2014-10, Vol.6 (2), p.11512-11527

2014

Volltextzugriff (PDF)

Perspective: Ab initio force field methods derived from quantum mechanics

The Journal of chemical physics, 2018-03, Vol.148 (9)

2018

Volltextzugriff (PDF)

Why is Si2H2 Not Linear? An Intrinsic Quasi-Atomic Bonding Analysis

Journal of the American Chemical Society, 2020-08, Vol.142 (32), p.13729-13742

2020

Volltextzugriff (PDF)

Adaptive-Partitioning Multilayer Dynamics Simulations: 2. Implementations of the Permuted and Interpolated Adaptive-Partitioning Gradients

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-12, Vol.127 (48), p.10320-10333

2023

Volltextzugriff (PDF)

Theoretical analysis of the optical excitation spectra of silver and gold nanowires

Nanoscale, 2012-07, Vol.4 (14), p.4190-4198

2012

Volltextzugriff (PDF)

Traversing the Tightrope between Halogen and Chalcogen Bonds Using Structural Chemistry and Theory

Crystal growth & design, 2021-12, Vol.21 (12), p.7168-7178

2021

Volltextzugriff (PDF)

Dispersion Interactions in Water Clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-05, Vol.121 (19), p.3736-3745

2017

Volltextzugriff (PDF)

Derivation and Implementation of the Gradient of the R –7 Dispersion Interaction in the Effective Fragment Potential Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-02, Vol.120 (4), p.639-647

2016

Volltextzugriff (PDF)

Benchmarking of the R –7 Anisotropic Dispersion Energy Term on the S22 Dimer Test Set

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-07, Vol.122 (29), p.6100-6108

2018

Volltextzugriff (PDF)

Derivation and Implementation of the Gradient of the R(-7) Dispersion Interaction in the Effective Fragment Potential Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-02, Vol.120 (4), p.639-647

2016

Volltextzugriff (PDF)

Plasmon resonance analysis with configuration interaction

Physical chemistry chemical physics : PCCP, 2014-08, Vol.16 (29), p.15501-15509

2014

Volltextzugriff (PDF)

Dispersion Correction Derived from First Principles for Density Functional Theory and Hartree–Fock Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-03, Vol.119 (10), p.2161-2168

2015

Volltextzugriff (PDF)

Benchmarking the Effective Fragment Potential Dispersion Correction on the S22 Test Set

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-04, Vol.122 (16), p.4076-4084

2018

Volltextzugriff (PDF)

Synthesis and Characterization of Gallium-Doped CdSe Quantum Dots

Journal of physical chemistry. C, 2015-05, Vol.119 (19), p.10749-10757

2015

Volltextzugriff (PDF)

Initial Growth Mechanisms of Gold-Phosphine Clusters

Journal of physical chemistry. C, 2011-04, Vol.115 (14), p.6305-6316

2011

Volltextzugriff (PDF)

Development of a charge-perturbed particle-in-a-sphere model for nanoparticle electronic structure

Physical chemistry chemical physics : PCCP, 2012-03, Vol.14 (12), p.4287-4295

2012

Volltextzugriff (PDF)

Menü

Weitere Dienste

Einstellungen

Diameter Dependence of the Excitation Spectra of Silver and Gold Nanorods

Origin and TDDFT Benchmarking of the Plasmon Resonance in Acenes

Quantum coherent plasmon in silver nanowires: a real-time TDDFT study

Photoluminescence Origin of Au38(SR)24 and Au22(SR)18 Nanoparticles: A Theoretical Perspective

Quasi-atomic orbital analysis of halogen bonding interactions

Time-Dependent Density Functional Theory Study of the Luminescence Properties of Gold Phosphine Thiolate Complexes

Theoretical Investigation of Relaxation Dynamics in Au38(SH)24 Thiolate-Protected Gold Nanoclusters

Quantum Mechanical Modeling of the Interactions between Noble Metal (Ag and Au) Nanoclusters and Water with the Effective Fragment Potential Method

Accuracy of the PM6 and PM7 Methods on Bare and Thiolate-Protected Gold Nanoclusters

Quantum mechanical origin of the plasmon: from molecular systems to nanoparticles

Perspective: Ab initio force field methods derived from quantum mechanics

Why is Si2H2 Not Linear? An Intrinsic Quasi-Atomic Bonding Analysis

Adaptive-Partitioning Multilayer Dynamics Simulations: 2. Implementations of the Permuted and Interpolated Adaptive-Partitioning Gradients

Theoretical analysis of the optical excitation spectra of silver and gold nanowires

Traversing the Tightrope between Halogen and Chalcogen Bonds Using Structural Chemistry and Theory

Dispersion Interactions in Water Clusters

Derivation and Implementation of the Gradient of the R –7 Dispersion Interaction in the Effective Fragment Potential Method

Benchmarking of the R –7 Anisotropic Dispersion Energy Term on the S22 Dimer Test Set

Derivation and Implementation of the Gradient of the R(-7) Dispersion Interaction in the Effective Fragment Potential Method

Plasmon resonance analysis with configuration interaction

Dispersion Correction Derived from First Principles for Density Functional Theory and Hartree–Fock Theory

Benchmarking the Effective Fragment Potential Dispersion Correction on the S22 Test Set

Synthesis and Characterization of Gallium-Doped CdSe Quantum Dots

Initial Growth Mechanisms of Gold-Phosphine Clusters

Development of a charge-perturbed particle-in-a-sphere model for nanoparticle electronic structure

Suchergebnisse filtern