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Articles about
Materials Theory
Nonlinear Optical Response from Excitons in Soliton Lattice Systems of Doped Conducting Polymers
9 April 1997 by
Kikuo Harigaya
Condensed Matter
,
Quantum Physics
Long-Range Excitons in Optical Absorption Spectra of Electroluminescent Polymer Poly(para-phenylenevinylene)
9 April 1997 by
Kikuo Harigaya
Condensed Matter
,
Chemical Physics
Ab initio molecular dynamics study of the desorption of D_2 from Si(100)
5 March 1997 by
Axel Gross
and
others
Materials Science
,
Materials Theory
Surface Effects in Ferroelectrics: Periodic Slab Computations for BaTiO_3
6 January 1997 by
Ronald Cohen
Materials Science
,
Materials Theory
Effects of crack tip geometry on dislocation emission and cleavage: A possible path to enhanced ductility
17 December 1996 by
J. Schiøtz
and
others
Materials Theory
,
Materials Science
Relation between a Screened Polyelectrolyte and a Field Theory
11 December 1996 by
Bo Soderberg
Condensed Matter
,
Materials Theory
Modeling of Covalent Bonding in Solids by Inversion of Cohesive Energy Curves
27 November 1996 by
Martin Bazant
and
Efthimios Kaxiras
at
Harvard University
Materials Theory
,
Materials Science
Theory of Alkali Induced Reconstruction of the Cu(100) Surface
26 September 1996 by
S. Quassowski
and
Kai Hermann
Materials Science
,
Materials Theory
A Model for the Thermal Expansion of Ag(111) and other Metal Surfaces
26 September 1996 by
Shobhana Narasimhan
and
Matthias Scheffler
Materials Science
,
Materials Theory
Diffusivity of Ga and Al adatoms on GaAs(001)
25 September 1996 by
Alex Kley
and
Matt Scheffler
Materials Science
,
Materials Theory
Steering and isotope effects in the dissociative adsorption of H_2/Pd(100)
25 September 1996 by
Axel Gross
and
Matthias Scheffler
Materials Science
,
Materials Theory
Strained tetragonal states and Bain paths in metals
25 September 1996 by
P. Alippi
and
others
Materials Science
,
Materials Theory
Role of defects and impurities in doping of GaN
25 September 1996 by
JÖrg Neugebauer
and
C. G. Van De Walle
Materials Science
,
Materials Theory
Reconstructions of Ir (110) and (100): an ab initio study
25 September 1996 by
Alessio Filippetti
and
Vincenzo Fiorentini
Materials Science
,
Materials Theory
Substrate-adsorbate coupling in CO-adsorbed copper
23 September 1996 by
Steven Lewis
and
Andrew Rappe
at
University of Pennsylvania
Materials Science
,
Materials Theory
Basis Functions for Linear-Scaling First-Principles Calculations
20 September 1996 by
Esteban Hernández
and
others
at
Keele University
Materials Science
,
Materials Theory
A Variational Approach to Nonlocal Exciton-Phonon Coupling
19 September 1996 by
Yang Zhao
and
others
Condensed Matter
,
Materials Theory
Correlation effects in MgO and CaO: Cohesive energies and lattice constants
2 September 1996 by
Klaus Doll
and
others
Materials Science
,
Materials Theory
Nonlinear optical response from excitons in soliton lattice systems
30 August 1996 by
Kikuo Harigaya
Condensed Matter
,
Materials Theory
Ab initio simulations of liquid systems: Concentration dependence of the electric conductivity of NaSn alloys
29 August 1996 by
R. Kaschner
and
others
Materials Science
,
Materials Theory
Size, Shape and Low Energy Electronic Structure of Carbon Nanotubes
28 August 1996 by
C. Kane
and
E. Mele
Condensed Matter
,
Materials Theory
Reconstruction and thermal stability of the cubic SiC(001) surfaces
26 August 1996 by
A. Catellani
and
others
Materials Science
,
Materials Theory
Band Structure and Transport Properties of CrO_2
24 August 1996 by
Steven Lewis
and
others
at
University of Pennsylvania
Materials Science
,
Materials Theory
Reciprocity Theorems for Ab Initio Force Calculations
22 August 1996 by
Cheng'an Wei
and
others
at
University of Pennsylvania
Materials Science
,
Materials Theory
Anomalous effective charges and far IR optical absorption of Al
_2
Ru from first principles
13 August 1996 by
Serdar Ogut
and
Karin Rabe
Materials Science
,
Materials Theory
Polymers in Curved Boxes
5 August 1996 by
K. Yaman
and
others
at
University of Chicago
Materials Science
,
Materials Theory
Ab-initio study of the anomalies in the He atom scattering spectra of H/Mo(110) and H/W(110)
2 August 1996 by
Bernd Kohler
and
others
Materials Science
,
Materials Theory
Ab initio statistical mechanics of the ferroelectric phase transition in PbTiO3
1 August 1996 by
U. Waghmare
and
K. Rabe
at
Yale University
Materials Science
,
Materials Theory
Microscopic Estimates for Electromigration Velocities of Intragranular Voids in Aluminum Lines
30 July 1996 by
L. Wickham
and
James Sethna
Materials Science
,
Materials Theory
Structure and stability of a high-coverage (1x1) oxygen phase on Ru(0001)
30 July 1996 by
C. Stampfl
and
others
Materials Science
,
Materials Theory
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