Assessment of density functional theory optimized basis sets for gradient corrected functionals to transition metal systems: The case of small Ni[sub n] (n≤5) clusters
Patrizia Calaminici
The Journal of Chemical Physics, 2007
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Theoretical study of transition metal oxide clusters (TMnOm) [(TM- Pd, Rh, Ru) and (n, m =1, 2)]
Apoorva Dwivedi
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Assessment of density functional theory optimized basis sets for gradient corrected functionals to transition metal systems: The case of small Ni (n⩽ 5) clusters
Patrizia Calaminici
The Journal of chemical physics, 2007
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Study of (Al2O3)n(Ox) clusters with n ? 16 and x = 0, 1, 2 from first principles calculations
L. Balbás
The European Physical Journal D - Atomic, Molecular and Optical Physics, 2003
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Theoretical Studies of Structural, Energetic, and Electronic Properties of Clusters
Valeri Grigoryan
Zeitschrift für Physikalische Chemie, 2008
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BFW: A Density Functional for Transition Metal Clusters
Mark Buntine
The Journal of Physical Chemistry A, 2007
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Study of structures, energies and vibrational frequencies of (O2)n+ (n=2-5) clusters by GGA and meta-GGA density functional methods
Govinda Prasad Khanal
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Architecture, electronic structure and stability of TM@Ge(n) (TM = Ti, Zr and Hf; n = 1-20) clusters: a density functional modeling
Manish Kumar
Journal of Molecular Modeling, 2012
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Structure, dynamic and energetic of mixed transition metal clusters
François G . Amar
The European Physical Journal D, 2012
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Density functional study of structural and electronic properties of cube-like MgO clusters
Alberto Enrique Estrella Castro
Chemical Physics Letters, 1995
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Theoretical investigations of the chemical bonding in MM′O2 clusters (M, M′ = Be, Mg, Ca)
Robert Ponec
Journal of Molecular Modeling, 2018
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Structural and Electronic Properties of (Al2O3)n Clusters with n = 1–10 from First Principles Calculations
MD.JAHANGIR ALAM
The Journal of Physical Chemistry C, 2011
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Atomic Clusters: Structure, Reactivity, Bonding, and Dynamics
Ranita Pal
Frontiers in Chemistry, 2021
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A Density Functional Study of Structure and Stability of Ni8, Ni8 + and Ni8 − Cluster
Patrizia Calaminici
Computing Letters, 2005
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Model dependence of the thermodynamic properties of Na8 and Na20 clusters studied with ab initio electronic structure methods
Dilip Kanhere
Physical Review B, 2001
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Stable structures and electronic properties of 6-atom noble metal clusters using density functional theory
Aj Physics, Udomsilp Pinsook
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A theoretical investigation on the clusters by density functional theory methods
Jorge Morales
2005
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The reactivity of CO on bimetallic Ni3M clusters (M = Sc, Ti, V, Cr, Mn, Fe, Co, Cu, Rh, Ru, Ag, Pd and Pt) by density functional theory
Asoke Chattopadhyay
New Journal of Chemistry, 2019
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A theoretical study of the structure of Ni clusters (Ni N)
Valeri Grigoryan
Physical Chemistry Chemical Physics, 2001
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13-atom metallic clusters studied by density functional theory: Dependence on exchange-correlation approximations and pseudopotentials
Jyh-Pin Chou
Physical Review B, 2009
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Electronic and atomic structure of Na, Mg, Al and Pb clusters
MJ LOPEZ
Zeitschrift f�r Physik D Atoms, Molecules and Clusters, 1988
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Atomistic and electronic structure of bimetallic cobalt/rhenium clusters from density functional theory calculations
Vebjørn Bakken
The Journal of Chemical Physics, 2008
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Density functional theory study of small nickel clusters
Satyender Goel, Artëm E Masunov
Journal of Molecular Modeling, 2012
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Chemistry Within Molecular Clusters
Todd Coolbaugh
On Clusters and Clustering, 1993
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Solid-state chemistry of molecular metal oxide clusters. Ortho metalation and hydrogen transport in ((PhâP)âIrHâ)âPWââOââ probed by ³¹P NMR long-range deuterium isotope effects
Richard Newmark
1989
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Theoretical studies and topological analysis of the electron density of clusters of O3 with HNCO and HCNO
Mohammad Solimannejad
Journal of Molecular Structure: THEOCHEM, 2010
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Closed-shell to split-shell stability of isovalent clusters
Arthur Reber
2011
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