Development of a Finite-Temperature Density Functional Approach to Electrochemical Reactions

Kazuya Shiratori; Katsuyuki Nobusada

doi:10.1021/jp803923f

Development of a Finite-Temperature Density Functional Approach to Electrochemical Reactions

The Journal of Physical Chemistry A ◽

10.1021/jp803923f ◽

2008 ◽

Vol 112 (42) ◽

pp. 10681-10688 ◽

Cited By ~ 10

Author(s):

Kazuya Shiratori ◽

Katsuyuki Nobusada

Keyword(s):

Finite Temperature ◽

Density Functional ◽

Functional Approach ◽

Electrochemical Reactions

Download Full-text

Density functional approach to helium at finite temperature

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/14/40/302 ◽

2002 ◽

Vol 14 (40) ◽

pp. 9077-9088 ◽

Cited By ~ 8

Author(s):

Thierry Biben ◽

Daan Frenkel

Keyword(s):

Finite Temperature ◽

Density Functional ◽

Functional Approach

Download Full-text

Density functional approach to finite temperature nuclear properties and the role of a momentum dependent isovector interaction

Physical Review C ◽

10.1103/physrevc.79.044323 ◽

2009 ◽

Vol 79 (4) ◽

Cited By ~ 1

Author(s):

S. J. Lee ◽

A. Z. Mekjian

Keyword(s):

Finite Temperature ◽

Density Functional ◽

Functional Approach

Download Full-text

Extended density functional approach to nuclear systems at finite temperature

Zeitschrift für Physik A Hadrons and Nuclei ◽

10.1007/bf01301385 ◽

1992 ◽

Vol 341 (4) ◽

pp. 417-426 ◽

Cited By ~ 3

Author(s):

H. M�ller ◽

R. M. Dreizler

Keyword(s):

Finite Temperature ◽

Density Functional ◽

Functional Approach ◽

Nuclear Systems

Download Full-text

Structure and phase transitions in a network-forming associating Lennard-Jones fluid in a slit-like pore: a density functional approach

Molecular Physics ◽

10.1080/002689799163154 ◽

1999 ◽

Vol 97 (8) ◽

pp. 919-930 ◽

Cited By ~ 3

Author(s):

Adrian Huerta, Stefan Sokolowski, Orest Pi

Keyword(s):

Phase Transitions ◽

Density Functional ◽

Functional Approach ◽

Lennard Jones

Download Full-text

Understanding structure-activity relation in VxOy clusters of varied stoichiometry and sizes through conceptual density functional approach

Journal of Molecular Modeling ◽

10.1007/s00894-019-4168-3 ◽

2019 ◽

Vol 25 (11) ◽

Cited By ~ 1

Author(s):

Navjot Kaur ◽

Shuchi Gupta ◽

Neetu Goel

Keyword(s):

Density Functional ◽

Functional Approach ◽

Structure Activity

Download Full-text

Microstructure and Self-Assembly of Inhomogeneous Rigid Rodlike Chains between Two Neutral Surfaces: A Hybrid Density Functional Approach

The Journal of Physical Chemistry B ◽

10.1021/jp064040m ◽

2006 ◽

Vol 110 (43) ◽

pp. 21882-21889 ◽

Cited By ~ 14

Author(s):

Dapeng Cao ◽

Menghan Zhu ◽

Wenchuan Wang

Keyword(s):

Self Assembly ◽

Density Functional ◽

Functional Approach ◽

Hybrid Density Functional

Download Full-text

Further investigation of the spatial generalization of Kato's theorem by a variational density-functional approach

International Journal of Quantum Chemistry ◽

10.1002/qua.560400312 ◽

1991 ◽

Vol 40 (3) ◽

pp. 409-414 ◽

Cited By ~ 1

Author(s):

P. Csavinszky ◽

T. Kubaska

Keyword(s):

Density Functional ◽

Functional Approach

Download Full-text

Analytic energy derivatives in the numerical local‐density‐functional approach

The Journal of Chemical Physics ◽

10.1063/1.460208 ◽

1991 ◽

Vol 94 (11) ◽

pp. 7245-7250 ◽

Cited By ~ 375

Author(s):

B. Delley

Keyword(s):

Density Functional ◽

Local Density ◽

Functional Approach ◽

Energy Derivatives ◽

Analytic Energy Derivatives ◽

Local Density Functional

Download Full-text

Erratum: A density functional approach to freezing transitions in molecular fluids: Dipolar hard spheres [J. Chem. Phys. 86, 4146 (1987)]

The Journal of Chemical Physics ◽

10.1063/1.454776 ◽

1988 ◽

Vol 88 (2) ◽

pp. 1476-1477 ◽

Cited By ~ 4

Author(s):

William E. McMullen ◽

David W. Oxtoby

Keyword(s):

Density Functional ◽

Hard Spheres ◽

Chem Phys ◽

Functional Approach ◽

Molecular Fluids

Download Full-text

A density functional approach to characterize anisotropic hyperelastic behavior of organic crystals: Case study of nylon-6,6

Computational Materials Science ◽

10.1016/j.commatsci.2016.08.004 ◽

2016 ◽

Vol 124 ◽

pp. 390-397 ◽

Cited By ~ 3

Author(s):

H. Farahmand ◽

A.R. Setoodeh

Keyword(s):

Density Functional ◽

Functional Approach ◽

Organic Crystals ◽

Nylon 6,6

Download Full-text