Potential energy landscape of the cluster (original) (raw)
Theoretical study of the (H2O)6 cluster
Kenneth D. Jordan
Chemical Physics Letters, 1993
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Benchmark study of the interaction energy for an (H2O)16 cluster: quantum Monte Carlo and complete basis set limit MP2 results
Kenneth D. Jordan
The journal of physical chemistry. A, 2013
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Fourfold clusters of rovibrational energies in H2Te studied with an ab initio potential energy function
Per Jensen
Chemical Physics, 1995
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Coupled-Cluster Study of the Lower Energy Region of the Ground Electronic State of the HSO2 Potential Energy Surface
Gabriel Freitas
The Journal of Physical Chemistry A, 2015
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Theoretical Characterization of the (H2O) 21 Cluster: Application of an n-body Decomposition Procedure
Kenneth D. Jordan
The Journal of Physical Chemistry B, 2006
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Theoretical Investigation of the H 3 O + (H 2 O) 4 Cluster
Kenneth D. Jordan
The Journal of Physical Chemistry A, 2001
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Fluctuation, relaxation and rearrangement dynamics of a model (H2O)20 cluster: Non-statistical dynamical behavior
David Wales
The Journal of Chemical Physics, 1997
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Transition states for hydride-water (H–)(H2O)n clusters, n=2–6, 20
David Anick
Journal of Molecular Structure: THEOCHEM, 2009
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Clusters of hydrogen molecules: Ab initio SCF calculations corrected semiempirically for correlation energies
Petr Čársky
Theoretica Chimica Acta, 1979
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Structures, Energetics, and Vibrational Spectra of H 2 O 2 ···(H 2 O) n , n = 1−6 Clusters: Ab Initio Quantum Chemical Investigations
Dr. Anant D . Kulkarni
J Phys Chem a, 2005
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Assessment of the performance of common density functional methods for describing the interaction energies of (H2O)6 clusters
Kenneth D. Jordan
The Journal of Chemical Physics, 2010
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Toward a realistic density functional theory potential energy surface for the H[sub 5][sup +] cluster
Alfredo Aguado, Octavio Roncero
The Journal of Chemical Physics, 2010
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A Conformational Analysis Method for Understanding the Energy Landscapes of Clusters
Wensheng Cai
ChemPhysChem, 2007
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Experimental and Theoretical Investigations of Energy Transfer and Hydrogen-Bond Breaking in Small Water and HCl Clusters
Amit K Samanta
Acc. Chem. Res., 2014
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Path-integral molecular dynamics simulations of hydrated hydrogen chloride cluster HCl(H2O)4 on a semiempirical potential energy surface
Tetsuya Taketsugu
Chemical Physics, 2009
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Global minima for water clusters (H2O)n, n⩽21, described by a five-site empirical potential
David Wales
Chemical Physics Letters, 2005
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Structures and Energetics of F-(H2O)n, n = 1-3 Clusters from ab Initio Calculations
Thom Dunning
The Journal of Physical Chemistry, 1994
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Coupled Cluster and Quantum Monte-Carlo study of anionic hydrogen clustersHn-3≤ n (odd)≤ 11
Amin Mohammadi
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Hydrogen-Bond Networks in Water Clusters (H 2 O) 20 : An Exhaustive Quantum-Chemical Analysis
Andrei Tchougreeff
ChemPhysChem, 2010
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Spatial Delocalization in para -H 2 Clusters †
J. Jortner
The Journal of Physical Chemistry B, 2006
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Hydrogen-Bond Networks in Water Clusters (H2O)20: An Exhaustive Quantum-Chemical Analysis
Andrei Tchougreeff
ChemPhysChem, 2010
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Assessment of coupled cluster theory and more approximate methods for Hydrogen Bonded Systems (vol 9, pg 4403, 2013)
Daniel Boese
2014
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Potential Paths for the Hydrogen-Bond Relaxing With (H2O)N Cluster Size
Changqing Sun
The journal of physical chemistry. A, 2015
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The structure of para-hydrogen clusters
David Ceperley, Jesús Navarro
The European Physical Journal D, 2010
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Vibronic transitions from coupled-cluster response theory: Theory and application to HSiF and H[sub 2]O
Kenneth Ruud
The Journal of Chemical Physics, 2002
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First Principles Examination of the Acetylene−Water Clusters, HCCH−(H 2 O) x , x = 2, 3, and 4
Sotiris Xantheas, Demeter Tzeli
Journal of Physical Chemistry A, 2002
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Structures of Cl−(H2O)n and F−(H2O)n (n=2,3,...,15) clusters. Molecular dynamics computer simulations
Lalith Perera
The Journal of Chemical Physics, 1994
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Observation of Magic Numbers in the Population Distribution of the (NH3) (n-1) NH2(+) and (NH3)(n)H2(+) Cluster Ions: Implications for Cluster Ion Structure
Todd Coolbaugh
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First Principles Examination of the Acetylene−Water Clusters, HCCH−(H2O)x, x = 2, 3, and 4
Demeter Tzeli
Journal of Physical Chemistry A, 2002
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The reaction between HO and (H2O) n (n = 1, 3) clusters: reaction mechanisms and tunneling effects
Josep M Anglada
Theoretical Chemistry Accounts, 2011
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Energetics and Predissociation Dynamics of Small Water, HCl, and Mixed HCl-Water Clusters
Amit K Samanta
Chemical reviews, 2016
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Diffusion Monte Carlo studies of MB-pol (H2O)2−6 and (D2O)2−6 clusters: Structures and binding energies
Joel Mallory
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Potential energy surface studies via a single root multireference coupled cluster theory
Uttam Sinha mahapatra
The Journal of Chemical Physics, 2010
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Structure and Stability of Water Clusters (H 2 O) n , n = 8−20: An Ab Initio Investigation
Dr. Anant D . Kulkarni
The Journal of Physical Chemistry A, 2001
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Electron Binding Motifs of (H 2 O) n - Clusters
Kenneth D. Jordan
Journal of the American Chemical Society, 2006
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