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Volume 73; Issue 1
Main
Philosophical Magazine B
Volume 73; Issue 1
Philosophical Magazine B
Volume 73; Issue 1
1
Potentials for B-metal compounds: The stannates ASnO3 (A = Ca, Sr or Ba) and SnO2
Hines, Robert
,
Allan, Neil
,
Flavell, Wendy
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 417 KB
Your tags:
english, 1996
2
Empirical potential derivation for ionic materials
Gale, J. D.
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 1.08 MB
Your tags:
english, 1996
3
Monte Carlo simulations of the first-order phase transition in vanadium dioxide
Slater, Ben
,
Drew, Michael G. B.
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 618 KB
Your tags:
english, 1996
4
Anisotropic atom-atom potentials
Price, Sarah L.
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 915 KB
Your tags:
english, 1996
5
Potential fitting to molecular ionic materials
Telfert, G. B.
,
Wilde, P. J.
,
Jackson, R. A.
,
Meenan, P.
,
Roberts, K. J.
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 281 KB
Your tags:
english, 1996
6
Ab initio databases for fitting and testing interatomic potentials
Payne, M. C.
,
Robertson, I. J.
,
Thomson, D.
,
Heine, V.
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 678 KB
Your tags:
english, 1996
7
Atomistic simulation of hydroxide ions in inorganic solids
Baram, P. S.
,
Parker, S. C.
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 633 KB
Your tags:
english, 1996
8
Atomistic potentials for MgSiO 3 with the orthorhombic perovskite structure
Sxuart, J. A.
,
Price, G. D.
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 509 KB
Your tags:
english, 1996
9
Interatomic potentials
Grimes, R. W.
,
Harker, A. H.
,
Lidiard, A. B.
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 107 KB
Your tags:
english, 1996
10
A modern valence bond approach for interatomic potentials
Cooper, David L.
,
Thorsteinsson, Thorstein
,
Raimondi, Mario
,
Gerratt, Joseph
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 921 KB
Your tags:
english, 1996
11
Towards a general strategy for global interatomic potentials for elemental solids, surfaces and clusters
Murrell, J. N.
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 797 KB
Your tags:
english, 1996
12
Significance of higher-order many-body interaction energy terms in water clusters and bulk water
Xantheas, Sotiris S.
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 550 KB
Your tags:
english, 1996
13
Tight-binding parameters for silicon-boron interactions with application to boron-defect pairs in crystalline silicon
Rasband, Paul B.
,
Horsfield, Andrew P.
,
Clancy, Paulette
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 822 KB
Your tags:
english, 1996
14
Potential models for multicomponent oxides: Hexa-aluminates
Park, Jae-Gwan
,
Cormack, A. N.
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 726 KB
Your tags:
english, 1996
15
Gradient-based fitting of empirical potentials in the presence of a distributed-multipole electrostatic model
Willock, D. J.
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 793 KB
Your tags:
english, 1996
16
Polarization effects on amino-acid and peptide conformations
Mac Dónaill, D. A.
,
Morton-blake, D. A.
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 489 KB
Your tags:
english, 1996
17
Extracting and validating force fields for disordered polymeric materials from neutron scattering data
Rosi-schwartz, Barbara
,
Mitchell, Geoffrey R.
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 554 KB
Your tags:
english, 1996
18
Deriving intermolecular potentials for predicting the crystal structures of polar molecules
Coombes, David S.
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 497 KB
Your tags:
english, 1996
19
Bond order potentials for the atomistic simulation of covalent systems
Horsfield, A.
Journal:
Philosophical Magazine B
Year:
1996
Language:
english
File:
PDF, 409 KB
Your tags:
english, 1996
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