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Nosé, Shichi, Klein, Michael L. (1986) Constant-temperature–constant-pressure molecular-dynamics calculations for molecular solids: Application to solid nitrogen at high pressure. Physical Review B, 33 (1) 339-342 doi:10.1103/physrevb.33.339

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Reference TypeJournal (article/letter/editorial)
TitleConstant-temperature–constant-pressure molecular-dynamics calculations for molecular solids: Application to solid nitrogen at high pressure
JournalPhysical Review B
AuthorsNosé, ShichiAuthor
Klein, Michael L.Author
Year1986 (January 1)Volume33
Issue1
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.33.339Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID14091799Long-form Identifiermindat:1:5:14091799:6
GUID0
Full ReferenceNosé, Shichi, Klein, Michael L. (1986) Constant-temperature–constant-pressure molecular-dynamics calculations for molecular solids: Application to solid nitrogen at high pressure. Physical Review B, 33 (1) 339-342 doi:10.1103/physrevb.33.339
Plain TextNosé, Shichi, Klein, Michael L. (1986) Constant-temperature–constant-pressure molecular-dynamics calculations for molecular solids: Application to solid nitrogen at high pressure. Physical Review B, 33 (1) 339-342 doi:10.1103/physrevb.33.339
In(1986, January) Physical Review B Vol. 33 (1) American Physical Society (APS)

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Francesco Fracassi, Pier, Cardini, Gianni, O’Shea, Séamus, Impey, Roger W., Klein, Michael L. (1986) Solid and liquid carbon monoxide studied with the use of constant-pressure molecular dynamics. Physical Review B, 33 (5) 3441-3447 doi:10.1103/physrevb.33.3441
Nosé, Shuichi, Klein, M.L. (1983) Constant pressure molecular dynamics for molecular systems. Molecular Physics, 50. 1055-1076 doi:10.1080/00268978300102851
Ryckaert, Jean‐Paul, Klein, Michael L. (1986) Translational and rotational disorder in solid n‐alkanes: Constant temperature–constant pressure molecular dynamics calculations using infinitely long flexible chains. The Journal of Chemical Physics, 85 (3). 1613-1620 doi:10.1063/1.451203
Nosé, Shuichi, Klein, Michael L. (1983) Structural Transformations in Solid Nitrogen at High Pressure. Physical Review Letters, 50 (16). 1207-1210 doi:10.1103/physrevlett.50.1207
Nosé, Shuichi, Klein, Michael L. (1983) A study of solid and liquid carbon tetrafluoride using the constant pressure molecular dynamics technique. The Journal of Chemical Physics, 78 (11) 6928-6939 doi:10.1063/1.444641
Toxvaerd, S. (1993) Molecular dynamics at constant temperature and pressure. Physical Review E, 47 (1) 343-350 doi:10.1103/physreve.47.343
Zhu, Huilong, Averback, R. S. (1995) Molecular-dynamics method for simulating heterogeneous condensed matter at constant pressure. Physical Review B, 51 (21) 15559-15562 doi:10.1103/physrevb.51.15559
Jin, W., Mahanti, S. D., Tang, S. Y. (1989) Internal stress tensor in constant-pressure molecular dynamics of anisotropic molecular solids. Physical Review B, 39 (16) 11928-11931 doi:10.1103/physrevb.39.11928
Nosé, Shūichi, Klein, Michael L. (1984) Molecular-Dynamics Calculations for Ethylene Adsorbed on Graphite. Physical Review Letters, 53 (8). 818-821 doi:10.1103/physrevlett.53.818
Ferrario, Mauro, Klein, Michael L., McDonald, Ian R. (1987) Structure of solid t‐butyl cyanide: A study by means of constant‐temperature, constant‐pressure, molecular‐dynamics simulations. The Journal of Chemical Physics, 87 (8). 4823-4828 doi:10.1063/1.452843
Neusy, Elizabeth, Nosé, Shūichi, Klein, Michael L. (1984) Molecular dynamics calculations for solid bicyclo (2.2.2) octane. Molecular Physics, 52. 269-279 doi:10.1080/00268978400101211
 
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