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List of works by Brett I. Dunlap

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Are fullerene tubules metallic?

scientific article
Giant magnetic moments in 4d clusters

scientific article published on 01 May 1993
Connecting carbon tubules

scientific article published on 01 July 1992
Local-density-functional calculation of photoelectron spectra of fullerenes

scientific article published on 01 June 1991
Symmetry and cluster magnetism

scientific article published on 01 May 1990
Interpreting the near edges of O2 and O2- in alkali-metal superoxides

scientific article published on 01 October 1991
Sb@Ni12@Sb20-/+ and Sb@Pd12@Sb20n Cluster Anions, Where n = +1, -1, -3, -4: Multi-Oxidation-State Clusters of Interpenetrating Platonic Solids.

scientific article
Relating carbon tubules

scientific article published on 01 February 1994
Variational, V-representable, and variable-occupation-number perturbation theories

scientific article published in December 2008
Constraints on small graphitic helices

scientific article published on 01 September 1994
Three-center Gaussian-type-orbital integral evaluation using solid spherical harmonics

scientific article published on 01 August 1990
Attachment of two electrons to C60F48: Coulomb barriers in doubly charged anions

scientific article published on 01 November 1994
Highly localised excitons in sodium halides: a linear combination of Gaussian-type orbitals Xαmodel cluster study

Molecular dynamics simulation of yttria-stabilized zirconia (YSZ) crystalline and amorphous solids

scientific article published on 05 January 2011
Radial vibrations of a sodium ion inside icosahedral C60

scientific article published on 01 June 1992
Alkali-metal oxides. II. Unoccupied and excited states

scientific article published on 01 March 1989
Local-density-functional total energy gradients in the linear combination of Gaussian-type orbitals method

scientific article published on 01 December 1990
Second derivatives of the local-density-functional total energy when the local potential is fitted

scientific article published on 01 January 1992
Electronic structure and molecular dynamics of breaking the RO-NO2 bond.

scientific article published in June 2009
Thermodynamic and kinetic stabilities of CO2 oligomers.

scientific article published on April 2013
Electronic and magnetic properties of organometallic clusters: From the molecular to the metallic state

Electronic structure of highly fluorinated C60

scientific article published on 01 January 1993
Corrigendum: Proton transport through hydrated chitosan-based polymer membranes under electric fields

scientific article published on 5 February 2018
Group-IV covalent clusters: Si45 and C44 versus Si44 and C45

scientific article published on 01 August 1991
Optical excitation energies, Stokes shift, and spin-splitting of C24H72Si14

scientific article published on 01 July 2010
Chip Scale Module Package for WLAN Module Application

scientific article published in 2007
Robust and variational fitting

scientific article published in 2000
Rate of self-consistent-field convergence in the X α method

scientific article published in May 1982
Angular momentum in solid-harmonic-Gaussian integral evaluation

scientific article published on 15 January 2003
Alkali metal oxides: Occupied, unoccupied and excited states

article published in 1988
Symmetry and density-functional exchange and correlation

scientific article published in 1995
Slater's Exchange Parameters α for Analytic and Variational Xα Calculations

scientific article published on 01 November 2005
Kinetic Monte Carlo simulation of the elementary electrochemistry in a hydrogen-powered solid oxide fuel cell

scientific article published in July 2010
Dissociative adsorption and associative desorption of H2 on a flat surface

scientific article published in 1991
The magic number nine-atom alkali halide cluster ion. Is the nine-atom planar structure the most stable?

scientific article published in April 1986
Degenerate density perturbation theory

scientific article published on 6 September 2016
Atomic contributions to friction and load for tip–self-assembled monolayers interactions

scientific article published on 3 December 2008
SO(2, 1) and the Hulthén Potential

scientific article published in October 1972
Electronic structure, vibrational stability, infra-red, and Raman spectra of B24N24 cages

scientific article published in August 2004
Bonding in Endohedral Metal-Fullerene Complexes: f-Orbital Covalency in Ce@C 28

scientific article published in January 1993
Fitting the Coulomb potential variationally in linear-combination-of-atomic-orbitals density-functional calculations

scientific article published in January 1982
Effect of screening on the carbon KVV Auger line shape of alkali-metal — intercalated graphite

scientific article published on 15 May 1982
Alternative perspective on density-functional perturbation theory

scientific article published on 26 December 2007
Proton transport through hydrated chitosan-based polymer membranes under electric fields

scholarly article
Electrical characterization of wafer level fan-out (WLFO) using film substrate for low cost millimeter wave application

scientific article published in 2010
Self-consistent, constrained linear-combination-of-atomic-potentials approach to quantum mechanics

scientific article published on 01 January 2011
Lcao-X? calculations of rotational energy barriers?prototypes of chemical reactions

scientific article published in April 1986
Dipole moments from atomic-number-dependent potentials in analytic density-functional theory

scientific article published on 01 December 2006
Robust variational fitting: Gáspár's variational exchange can accurately be treated analytically

scientific article published in April 2000
The role of electrodynamic interactions on energy loss intensities of adsorbed molecules

scientific article published in January 1982

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