4.4 Article

Structure, vibrational, and optical properties of platinum cluster: a density functional theory approach

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

A density functional study of chemical, magnetic and thermodynamic properties of small palladium clusters

Ngangbam Bedamani Singh et al.

MOLECULAR SIMULATION (2014)

Article Chemistry, Multidisciplinary

Pd-Pt random alloy nanocubes with tunable compositions and their enhanced electrocatalytic activities

Qiang Yuan et al.

CHEMICAL COMMUNICATIONS (2010)

Article Chemistry, Physical

The UV absorption of nucleobases: semi-classical ab initio spectra simulations

Mario Barbatti et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)

Article Materials Science, Multidisciplinary

Structure and thermodynamics of Fe55, Co55, and Ni55 clusters supported on a surface

U. Sarkar et al.

PHYSICAL REVIEW B (2009)

Article Chemistry, Physical

The on-the-fly surface-hopping program system NEWTON-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems

Mario Barbatti et al.

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2007)

Article Multidisciplinary Sciences

Stabilization of platinum oxygen-reduction electrocatalysts using gold clusters

J. Zhang et al.

SCIENCE (2007)

Article Chemistry, Physical

pKa prediction using group philicity

R. Parthasarathi et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2006)

Article Chemistry, Physical

Effect of particle size on the oxidizability of platinum clusters

Ye Xu et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2006)

Article Chemistry, Physical

Molecular structure and bonding of copper cluster monocarbonyls CunCO (n=1-9)

A Poater et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

Review Chemistry, Multidisciplinary

Electrophilicity index

Pratim Kumar Chattaraj et al.

CHEMICAL REVIEWS (2006)

Article Chemistry, Physical

Ab initio studies on the polarizability of lithium clusters: Some unusual results

KRS Chandrakumar et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2005)

Article Chemistry, Physical

Variation of electrophilicity during molecular vibrations and internal rotations

R Parthasarathi et al.

THEORETICAL CHEMISTRY ACCOUNTS (2005)

Article Chemistry, Physical

Geometrical and electronic structure of the Pt7 cluster:: A density functional study

WQ Tian et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2004)

Article Optics

Optical response of small magnesium clusters

IA Solov'yov et al.

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS (2004)

Article Chemistry, Physical

Variation of the electrophilicity index along the reaction path

E Chamorro et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2003)

Article Multidisciplinary Sciences

The impact of nanoscience on heterogeneous catalysis

AT Bell

SCIENCE (2003)

Article Materials Science, Multidisciplinary

Work functions, ionization potentials, and in between: Scaling relations based on the image-charge model

K Wong et al.

PHYSICAL REVIEW B (2003)

Article Physics, Condensed Matter

The SIESTA method for ab initio order-N materials simulation

JM Soler et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2002)

Article Chemistry, Physical

Clusters as new materials

W Eberhardt

SURFACE SCIENCE (2002)

Article Chemistry, Multidisciplinary

Variational principles for describing chemical reactions: The Fukui function and chemical hardness revisited

PW Ayers et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)

Article Spectroscopy

Femtosecond multi-photon photoemission of small transition metal cluster anions

N Pontius et al.

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA (2000)