Search filters

List of works by Christine M Aikens

A charge-dipole interaction model for the frequency-dependent polarizability of silver clusters

scientific article published on 20 April 2009

A topological isomer of the Au25(SR)18- nanocluster

scientific article published on 16 June 2020

Analysis and visualization of energy densities. I. Insights from real-time time-dependent density functional theory simulations

scientific article published on 10 November 2020

Analysis and visualization of energy densities. II. Insights from linear-response time-dependent density functional theory calculations

scientific article published on 20 November 2020

Chiral electronic transitions in fluorescent silver clusters stabilized by DNA.

scientific article published on 11 June 2014

Chirality and Electronic Structure of the Thiolate-Protected Au38Nanocluster

scientific article published on 01 June 2010

Correlating the crystal structure of a thiol-protected Au25 cluster and optical properties

scientific article published on 12 April 2008

Density functional analysis of geometries and electronic structures of gold-phosphine clusters. The case of Au4(PR3)42+ and A(u4μ2-I)2(PR3)4.

scientific article published on 16 June 2011

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

article

Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au13 and heart-shaped Au8 clusters.

scientific article published on 4 December 2017

Effects of core distances, solvent, ligand, and level of theory on the TDDFT optical absorption spectrum of the thiolate-protected Au(25) nanoparticle.

scientific article

Electronic Structure and TDDFT Optical Absorption Spectra of Silver Nanorods†

scientific article published on 01 April 2009

Electronic and Geometric Structure, Optical Properties, and Excited State Behavior in Atomically Precise Thiolate-Stabilized Noble Metal Nanoclusters

scientific article published on 16 November 2018

Electronic relaxation dynamics in [Au25(SR)18]-1 (R = CH3, C2H5, C3H7, MPA, PET) thiolate-protected nanoclusters

scientific article published on 25 February 2020

Electronic structure methods for studying surface-enhanced Raman scattering.

scientific article published on 10 March 2008

Formyloxyl Radical–Gold Nanoparticle Binding: A Theoretical Study

scientific article published on 22 May 2012

Geometrical and Electronic Structure, Stability, and Optical Absorption Spectra Comparisons between Thiolate- and Chloride-Stabilized Gold Nanoclusters

scientific article published on 31 October 2019

Improved ReaxFF force field parameters for Au-S-C-H systems

scientific article published on 27 September 2013

Incremental Binding Energies of Gold(I) and Silver(I) Thiolate Clusters

scientific article published on 26 September 2011

Incremental Solvation of Nonionized and Zwitterionic Glycine

scientific article published on 01 October 2006

Influence of Multi-atom Bridging Ligands on the Electronic Structure and Magnetic Properties of Homodinuclear Titanium Molecules

scientific article published on 01 December 2005

Luminescence and Electron Dynamics in Atomically Precise Nanoclusters with Eight Superatomic Electrons

scientific article published on 14 November 2019

Origin of intense chiroptical effects in undecagold subnanometer particles

scientific article published in February 2010

Oxidation of gold clusters by thiols

scientific article published on 14 June 2013

Plasmon resonance analysis with configuration interaction

scientific article published in August 2014

Polymorphism in Atomically Precise Cu23 Nanocluster Incorporating Tetrahedral [Cu4]0 Kernel

scientific article published on 13 March 2020

Preface: Mark S. Gordon.

scientific article published in April 2017

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

scientific article published on 01 June 2014

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

scientific article published on 01 October 2014

Relativistic DFT investigation of electronic structure effects arising from doping the Au25 nanocluster with transition metals

scientific article published on 11 October 2017

Reversible Switching of Magnetism in Thiolate-Protected Au25Superatoms

scientific article published on 01 February 2009

Scalable implementation of analytic gradients for second-order Z-averaged perturbation theory using the distributed data interface.

scientific article

Silver Nanoparticles with Broad Multiband Linear Optical Absorption

scientific article published on 01 January 2009

Structure and stability of (TiO2)n, (SiO2)n, and mixed Ti(m)Si(n-m)O(2n) [n = 2-5, m = 1 to (n - 1)] clusters.

scientific article published on 4 January 2011

TD-DFT and TD-DFTB Investigation of the Optical Properties and Electronic Structure of Silver Nanorods and Nanorod Dimers

TD-DFTB study of optical properties of silver nanoparticle homodimers and heterodimers

scientific article published on 01 October 2020

TDDFT Investigation of Surface-Enhanced Raman Scattering of HCN and CN−on Ag20†

scientific article published on 01 August 2010

TDDFT Studies of Absorption and SERS Spectra of Pyridine Interacting with Au20

scientific article published on 01 December 2006

TDDFT and CIS studies of optical properties of dimers of silver tetrahedra

scientific article published on 27 July 2012

The Golden Pathway to Thiolate-Stabilized Nanoparticles: Following the Formation of Gold(I) Thiolate from Gold(III) Chloride

scientific article published on 24 July 2012

Theoretical Investigation of Water Oxidation Mechanism on Pure Manganese and Ca-Doped Bimetal Oxide Complexes

scientific article published on 10 July 2019

Theoretical Investigation of the Electrochemical Mechanism of Water Splitting on a Titanium Oxide Cluster Model

scientific article published on 13 December 2011

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

scientific article published on 12 April 2012

Theoretical investigation of relaxation dynamics in the Au18(SH)14 thiolate-protected gold nanocluster

scientific article published on 01 September 2019

Theoretical investigation of surface reactions of lactic acid on MgO clusters

scientific article published on 15 January 2013

Theoretical investigation of water oxidation processes on small Mn(x)Ti(2-x)O4 (x = 0-2) complexes.

scientific article

Ultrafast Nonradiative Decay of a Dipolar Plasmon-like State in Naphthalene

scientific article published on 12 November 2020

Understanding plasmon coupling in nanoparticle dimers using molecular orbitals and configuration interaction

scientific article published on 01 October 2019

Water Adsorption and Dissociation Processes on Small Mn-Doped TiO2 Complexes

scientific article published on 07 January 2014

[Ag48(C≡C tBu)20(CrO4)7]: An Atomically Precise Silver Nanocluster Co-protected by Inorganic and Organic Ligands

scientific article published on 27 February 2019

[Au18(dppm)6Cl4]4+: a phosphine-protected gold nanocluster with rich charge states

scientific article published on 01 March 2019

Paulina is supported by:

About Paulina

Help