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Eggenberger, Rolf, Gerber, Stefan, Huber, Hanspeter, Welker, Marc (1994) A new ab initio potential for the neon dimer and its application in molecular dynamics simulations of the condensed phase. Molecular Physics, 82. 689-699 doi:10.1080/00268979400100494

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Reference TypeJournal (article/letter/editorial)
TitleA new ab initio potential for the neon dimer and its application in molecular dynamics simulations of the condensed phase
JournalMolecular Physics
AuthorsEggenberger, RolfAuthor
Gerber, StefanAuthor
Huber, HanspeterAuthor
Welker, MarcAuthor
Year1994 (July)Volume82
PublisherInforma UK Limited
DOIdoi:10.1080/00268979400100494Search in ResearchGate
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Mindat Ref. ID5974236Long-form Identifiermindat:1:5:5974236:6
GUID0
Full ReferenceEggenberger, Rolf, Gerber, Stefan, Huber, Hanspeter, Welker, Marc (1994) A new ab initio potential for the neon dimer and its application in molecular dynamics simulations of the condensed phase. Molecular Physics, 82. 689-699 doi:10.1080/00268979400100494
Plain TextEggenberger, Rolf, Gerber, Stefan, Huber, Hanspeter, Welker, Marc (1994) A new ab initio potential for the neon dimer and its application in molecular dynamics simulations of the condensed phase. Molecular Physics, 82. 689-699 doi:10.1080/00268979400100494
In(n.d.) Molecular Physics Vol. 82. Informa UK Limited

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Eggenberger, Rolf, Gerber, Stefan, Huber, Hanspeter, Searles, Debra, Welker, Marc (1993) Thermodynamical and structural properties of neon in the liquid and supercritical states obtained from ab initio calculations and molecular dynamics simulations. The Journal of Chemical Physics, 99 (11). 9163-9169 doi:10.1063/1.465530
Eggenberger, Rolf, Gerber, Stefan, Huber, Hanspeter, Searles, Debra, Welker, Marc (1993) Calculation of transport properties of neon in the liquid, supercritical, and gaseous state by molecular dynamics simulations applying an ab initio pair potential. The Journal of Physical Chemistry, 97 (9). 1980-1984 doi:10.1021/j100111a041
Eggenberger, Rolf, Gerber, Stefan, Huber, Hanspeter, Searles, Debra, Welker, Marc (1992) Ab initiocalculation of the thermal conductivity of neon in the liquid and hypercritical state over a wide pressure range. Molecular Physics, 76. 1213-1219 doi:10.1080/00268979200101991
Eggenberger, Rolf, Gerber, Stefan, Huber, Hanspeter, Searles, Debra, Welker, Marc (1993) The use of molecular dynamics simulations withab initioSCF calculations for the determination of the oxygen-17 quadrupole coupling constant in liquid water. Molecular Physics, 80. 1177-1182 doi:10.1080/00268979300102961
Eggenberger, Rolf, Gerber, Stefan, Huber, Hanspeter (1991) The carbon dioxide dimer. Molecular Physics, 72. 433-439 doi:10.1080/00268979100100341
Eggenberger, Rolf, Gerber, Stefan, Huber, Hanspeter, Searles, Debra (1992) Comment on Moeller-Plesset perturbative ab initio calculations of the neon dimer potential. The Journal of Physical Chemistry, 96 (14). 6104 doi:10.1021/j100193a084
Eggenberger, Rolf, Gerber, Stefan, Huber, Hanspeter, Searles, Debra, Welker, Marc (1992) Ab initio calculation of the shear viscosity of neon in the liquid and hypercritical state over a wide pressure and temperature range. Chemical Physics, 164. 321-329 doi:10.1016/0301-0104(92)87071-g
Eggenberger, Rolf, Gerber, Stefan, Huber, Hanspeter, Searles, Debra, Welker, Marc (1993) Use of molecular dynamics simulations withab initio SCF calculations for the determination of the deuterium quadrupole coupling constant in liquid water and bond lengths in ice. Journal of Computational Chemistry, 14 (12). 1553-1560 doi:10.1002/jcc.540141218
Eggenberger, Rolf, Gerber, Stefan, Huber, Hanspeter, Welker, Marc (1993) Spin-lattice relaxation time and quadrupole coupling constant of 21Ne in liquid neon. Chemical Physics, 177. 91-98 doi:10.1016/0301-0104(93)80180-h
Eggenberger, Rolf, Huber, Hanspeter, Welker, Marc (1994) Neon in condensed phase: quantitative calculations of structural, thermodynamic and transport properties from pure theory. Chemical Physics, 187. 317-327 doi:10.1016/0301-0104(94)89014-5
Eggenberger, Rolf, Gerber, Stefan, Huber, Hanspeter, Searles, Debra (1991) Ab initio calculation of the second virial coefficient of neon and the potential energy curve of Ne2. Chemical Physics, 156. 395-401 doi:10.1016/0301-0104(91)89008-x
 
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