Volume 73; Issue 1

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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

english, 1996

2

Empirical potential derivation for ionic materials

Journal:

Philosophical Magazine B

Year:

1996

Language:

english

File:

PDF, 1.08 MB

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

english, 1996

4

Anisotropic atom-atom potentials

Price, Sarah L.

Journal:

Philosophical Magazine B

Year:

1996

Language:

english

File:

PDF, 915 KB

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

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

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

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

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

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

english, 1996

11

Towards a general strategy for global interatomic potentials for elemental solids, surfaces and clusters

Journal:

Philosophical Magazine B

Year:

1996

Language:

english

File:

PDF, 797 KB

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

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

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

english, 1996

15

Gradient-based fitting of empirical potentials in the presence of a distributed-multipole electrostatic model

Journal:

Philosophical Magazine B

Year:

1996

Language:

english

File:

PDF, 793 KB

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

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

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

english, 1996

19

Bond order potentials for the atomistic simulation of covalent systems

Journal:

Philosophical Magazine B

Year:

1996

Language:

english

File:

PDF, 409 KB

english, 1996