Amanote Research
Register
Sign In
PdnCO (N = 1, 2): Accurate Ab Initio Bond Energies, Geometries, and Dipole Moments and the Applicability of Density Functional Theory for Fuel Cell Modeling
doi 10.1021/jp064467t.s001
Full Text
Open PDF
Abstract
Available in
full text
Date
Unknown
Authors
Unknown
Publisher
American Chemical Society (ACS)
Related search
Ab Initioprediction of H-Bond Energies and/or Geometries
Acta Crystallographica Section A Foundations of Crystallography
Ab Initio and Density Functional Predictions of Solvation Free Energies of Cyclic Polyethers (CH2CH2O)n (N=2,6) in Aqueous and Tetrachloromethane Solutions
Journal of Applied Solution Chemistry and Modeling
Molecular Structure and Vibrational Analysis of 1-Bromo-2-Chlorobenzene Using Ab Initio HF and Density Functional Theory (B3LYP) Calculations
Journal of Atomic, Molecular, and Optical Physics
Spin-Orbit Density Functional and Ab Initio Study of HgXn (X=F, Cl, Br, and I; N=1, 2, and 4)
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Structures and Energetics of Interfaces in Materials – Ab-Initio Local-Density-Functional Theory –
Microscopy and Microanalysis
Instrumentation
Chemical Bond Energies of 3d Transition Metals Studied by Density Functional Theory
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Electronic Structure of Unsaturated V2O5(001) and (100) Surfaces: Ab Initio Density Functional Theory Studies
Topics in Catalysis
Catalysis
Chemistry
Combining Ab Initio and Density Functional Theories With Semiempirical Methods
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Ab-Initio Density-Functional Lattice-Dynamics Studies of Ice
Canadian Journal of Physics
Astronomy
Physics
