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Results: 1-25/54
Authors:
HAMMONDS KD
HEINE V
DOVE MT
Citation: Kd. Hammonds et al., RIGID-UNIT MODES AND THE QUANTITATIVE-DETERMINATION OF THE FLEXIBILITY POSSESSED BY ZEOLITE FRAMEWORKS, JOURNAL OF PHYSICAL CHEMISTRY B, 102(10), 1998, pp. 1759-1767
Authors:
PRYDE AKA
DOVE MT
HEINE V
Citation: Aka. Pryde et al., SIMULATION STUDIES OF ZRW2O8 AT HIGH-PRESSURE, Journal of physics. Condensed matter (Print), 10(38), 1998, pp. 8417-8428
Authors:
PRYDE AKA
HEINE V
Citation: Aka. Pryde et V. Heine, ANALYSIS OF THE INCOMMENSURATELY MODULATED OS PHASE OF SIO2 TRIDYMITE, Physics and chemistry of minerals, 25(8), 1998, pp. 603-610
Authors:
MYERS ER
HEINE V
DOVE MT
Citation: Er. Myers et al., THERMODYNAMICS OF AL AL AVOIDANCE IN THE ORDERING OF AL/SI TETRAHEDRAL FRAMEWORK STRUCTURES/, Physics and chemistry of minerals, 25(6), 1998, pp. 457-464
Authors:
TRACHENKO K
DOVE MT
HAMMONDS KD
HARRIS MJ
HEINE V
Citation: K. Trachenko et al., LOW-ENERGY DYNAMICS AND TUNNELING STATES IN SILICA GLASS, Physical review letters, 81(16), 1998, pp. 3431-3434
Authors:
HAMMONDS KD
BOSENICK A
DOVE MT
HEINE V
Citation: Kd. Hammonds et al., RIGID UNIT MODES IN CRYSTAL-STRUCTURES WITH OCTAHEDRALLY COORDINATED ATOMS, The American mineralogist, 83(5-6), 1998, pp. 476-479
Authors:
RUTTER MJ
HEINE V
Citation: Mj. Rutter et V. Heine, PHONON FREE-ENERGY AND DEVILS STAIRCASES IN THE ORIGIN OF POLYTYPES, Journal of physics. Condensed matter, 9(9), 1997, pp. 2009-2024
Authors:
RUTTER MJ
HEINE V
Citation: Mj. Rutter et V. Heine, ENERGETICS OF STACKING BOUNDARIES ON THE (0001)SURFACES OF SILICON-CARBIDE, Journal of physics. Condensed matter, 9(39), 1997, pp. 8213-8220
Authors:
ZENG WS
HEINE V
JEPSEN O
Citation: Ws. Zeng et al., THE STRUCTURE OF BARIUM IN THE HEXAGONAL CLOSE-PACKED PHASE UNDER HIGH-PRESSURE, Journal of physics. Condensed matter, 9(17), 1997, pp. 3489-3502
Authors:
THOMSON DI
HEINE V
FINNIS MW
MARAZI N
Citation: Di. Thomson et al., AB-INITIO COMPUTATIONAL STUDY OF GA IN AN AL GRAIN-BOUNDARY, Philosophical magazine letters, 76(4), 1997, pp. 281-287
Authors:
MCCONNELL JDC
DEVITA A
KENNY SD
HEINE V
Citation: Jdc. Mcconnell et al., DETERMINATION OF THE ORIGIN AND MAGNITUDE OF AL SI ORDERING ENTHALPY IN FRAMEWORK ALUMINOSILICATES FROM AB-INITIO CALCULATIONS/, Physics and chemistry of minerals, 25(1), 1997, pp. 15-23
Authors:
ABARENKOV IV
BULATOV VL
GODBY R
HEINE V
PAYNE MC
SOUCHKO PV
TITOV AV
TUPITSYN II
Citation: Iv. Abarenkov et al., ELECTRONIC-STRUCTURE MULTICONFIGURATION CALCULATION OF A SMALL CLUSTER EMBEDDED IN A LOCAL-DENSITY APPROXIMATION HOST, Physical review. B, Condensed matter, 56(4), 1997, pp. 1743-1750
Authors:
HEINE V
DOVE MT
DEVITA A
ORTEGA J
MYERS E
Citation: V. Heine et al., COMPUTATIONAL STUDIES OF SI AL ORDERING IN ALUMINOSILICATE TETRAHEDRAL FRAMEWORK STRUCTURES/, Phase transitions, 61(1-4), 1997, pp. 51-66
Authors:
GAMBHIR M
HEINE V
DOVE MT
Citation: M. Gambhir et al., A ONE-PARAMETER MODEL OF A RIGID-UNIT STRUCTURE, Phase transitions, 61(1-4), 1997, pp. 125
Authors:
PRYDE AKA
HAMMONDS KD
DOVE MT
HEINE V
GALE JD
WARREN MC
Citation: Aka. Pryde et al., RIGID UNIT MODES AND THE NEGATIVE THERMAL-EXPANSION IN ZRW2O8, Phase transitions, 61(1-4), 1997, pp. 141-153
Authors:
HAMMONDS KD
HEINE V
DOVE MT
Citation: Kd. Hammonds et al., INSIGHTS INTO ZEOLITE BEHAVIOR FROM THE RIGID UNIT MODE MODEL, Phase transitions, 61(1-4), 1997, pp. 155-172
Authors:
MOLTENI C
MARZARI N
PAYNE MC
HEINE V
Citation: C. Molteni et al., SLIDING MECHANISMS IN ALUMINUM GRAIN-BOUNDARIES, Physical review letters, 79(5), 1997, pp. 869-872
Authors:
HAMMONDS KD
DENG H
HEINE V
DOVE MT
Citation: Kd. Hammonds et al., HOW FLOPPY MODES GIVE RISE TO ADSORPTION SITES IN ZEOLITES, Physical review letters, 78(19), 1997, pp. 3701-3704
Authors:
LEE MH
CHENG CF
HEINE V
KLINOWSKI J
Citation: Mh. Lee et al., DISTRIBUTION OF TETRAHEDRAL AND OCTAHEDRAL AL SITES IN GAMMA-ALUMINA, Chemical physics letters, 265(6), 1997, pp. 673-676
Authors:
PAYNE MC
ROBERTSON IJ
THOMSON D
HEINE V
Citation: Mc. Payne et al., AB-INITIO DATABASES FOR FITTING AND TESTING INTERATOMIC POTENTIALS, Philosophical magazine. B. Physics of condensed matter. Statistical mechanics, electronic, optical and magnetic, 73(1), 1996, pp. 191-199
Authors:
BRATKOVSKY AM
HEINE V
SALJE EKH
Citation: Am. Bratkovsky et al., STRAIN EFFECTS, PARTICULARLY IN PHASE-TRANSITIONS, Philosophical transactions-Royal Society of London. Physical sciences and engineering, 354(1720), 1996, pp. 2875-2896
Authors:
PRYDE AKA
HAMMONDS KD
DOVE MT
HEINE V
GALE JD
WARREN MC
Citation: Aka. Pryde et al., ORIGIN OF THE NEGATIVE THERMAL-EXPANSION IN ZRW2O8 AND ZRV2O7, Journal of physics. Condensed matter, 8(50), 1996, pp. 10973-10982
Authors:
DEYIRMENJIAN VB
HEINE V
PAYNE MC
MILMAN V
FINNIS MW
Citation: Vb. Deyirmenjian et al., IMPROVED REPRESENTATION OF METALLIC BONDING IN ATOMISTIC SIMULATIONS, Philosophical magazine letters, 73(2), 1996, pp. 39-44
Authors:
MOLTENI C
FRANCIS GP
PAYNE MC
HEINE V
Citation: C. Molteni et al., GRAIN-BOUNDARY SLIDING - AN AB-INITIO SIMULATION, Materials science & engineering. B, Solid-state materials for advanced technology, 37(1-3), 1996, pp. 121-126
Authors:
THAYAPARAM S
HEINE V
DOVE MT
HAMMONDS KD
Citation: S. Thayaparam et al., A COMPUTATIONAL STUDY OF AL SI ORDERING IN CORDIERITE/, Physics and chemistry of minerals, 23(2), 1996, pp. 127-139