Van der Waals interactions and the packing of molecular crystals
Summary The potential energy of the tetragonal phase of adamantane, which crystallizes in space groupP421C, has been computed as a function of the unit cell parametersa andc and of the angleψ, which represents a rotation about the tetragonal axisc, by using potential functions in order to describe i...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Liquori, A. M. [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
1968 |
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| Schlagwörter: |
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| Anmerkung: |
© Socictà Italiana di Fisica 1968 |
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| Übergeordnetes Werk: |
Enthalten in: Il Nuovo Cimento B (1965-1970) - Springer Berlin Heidelberg, 1971, 55(1968), 2 vom: 01. Juni, Seite 476-480 |
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| Übergeordnetes Werk: |
volume:55 ; year:1968 ; number:2 ; day:01 ; month:06 ; pages:476-480 |
| Links: |
|---|
| DOI / URN: |
10.1007/BF02711656 |
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OLC2087170177 |
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| 520 | |a Summary The potential energy of the tetragonal phase of adamantane, which crystallizes in space groupP421C, has been computed as a function of the unit cell parametersa andc and of the angleψ, which represents a rotation about the tetragonal axisc, by using potential functions in order to describe interactions between nonbonded atoms. The results show that the parametersψ anda andc may be predicted succesfully within $ 1^{o} $ and within about 2% respectively when suitable sets of potential functions are used. | ||
| 650 | 4 | |a Potential Energy | |
| 650 | 4 | |a Potential Function | |
| 650 | 4 | |a Adamantane | |
| 650 | 4 | |a Hexamethylbenzene | |
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| 700 | 1 | |a Giglio, E. |4 aut | |
| 700 | 1 | |a Mazzarella, L. |4 aut | |
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10.1007/BF02711656 doi (DE-627)OLC2087170177 (DE-He213)BF02711656-p DE-627 ger DE-627 rakwb eng 530 VZ Liquori, A. M. verfasserin aut Van der Waals interactions and the packing of molecular crystals 1968 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Socictà Italiana di Fisica 1968 Summary The potential energy of the tetragonal phase of adamantane, which crystallizes in space groupP421C, has been computed as a function of the unit cell parametersa andc and of the angleψ, which represents a rotation about the tetragonal axisc, by using potential functions in order to describe interactions between nonbonded atoms. The results show that the parametersψ anda andc may be predicted succesfully within $ 1^{o} $ and within about 2% respectively when suitable sets of potential functions are used. Potential Energy Potential Function Adamantane Hexamethylbenzene Potential Func Giglio, E. aut Mazzarella, L. aut Enthalten in Il Nuovo Cimento B (1965-1970) Springer Berlin Heidelberg, 1971 55(1968), 2 vom: 01. Juni, Seite 476-480 (DE-627)130067806 (DE-600)441919-4 (DE-576)015602214 2037-4895 nnns volume:55 year:1968 number:2 day:01 month:06 pages:476-480 https://doi.org/10.1007/BF02711656 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OPC-AST AR 55 1968 2 01 06 476-480 |
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10.1007/BF02711656 doi (DE-627)OLC2087170177 (DE-He213)BF02711656-p DE-627 ger DE-627 rakwb eng 530 VZ Liquori, A. M. verfasserin aut Van der Waals interactions and the packing of molecular crystals 1968 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Socictà Italiana di Fisica 1968 Summary The potential energy of the tetragonal phase of adamantane, which crystallizes in space groupP421C, has been computed as a function of the unit cell parametersa andc and of the angleψ, which represents a rotation about the tetragonal axisc, by using potential functions in order to describe interactions between nonbonded atoms. The results show that the parametersψ anda andc may be predicted succesfully within $ 1^{o} $ and within about 2% respectively when suitable sets of potential functions are used. Potential Energy Potential Function Adamantane Hexamethylbenzene Potential Func Giglio, E. aut Mazzarella, L. aut Enthalten in Il Nuovo Cimento B (1965-1970) Springer Berlin Heidelberg, 1971 55(1968), 2 vom: 01. Juni, Seite 476-480 (DE-627)130067806 (DE-600)441919-4 (DE-576)015602214 2037-4895 nnns volume:55 year:1968 number:2 day:01 month:06 pages:476-480 https://doi.org/10.1007/BF02711656 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OPC-AST AR 55 1968 2 01 06 476-480 |
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10.1007/BF02711656 doi (DE-627)OLC2087170177 (DE-He213)BF02711656-p DE-627 ger DE-627 rakwb eng 530 VZ Liquori, A. M. verfasserin aut Van der Waals interactions and the packing of molecular crystals 1968 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Socictà Italiana di Fisica 1968 Summary The potential energy of the tetragonal phase of adamantane, which crystallizes in space groupP421C, has been computed as a function of the unit cell parametersa andc and of the angleψ, which represents a rotation about the tetragonal axisc, by using potential functions in order to describe interactions between nonbonded atoms. The results show that the parametersψ anda andc may be predicted succesfully within $ 1^{o} $ and within about 2% respectively when suitable sets of potential functions are used. Potential Energy Potential Function Adamantane Hexamethylbenzene Potential Func Giglio, E. aut Mazzarella, L. aut Enthalten in Il Nuovo Cimento B (1965-1970) Springer Berlin Heidelberg, 1971 55(1968), 2 vom: 01. Juni, Seite 476-480 (DE-627)130067806 (DE-600)441919-4 (DE-576)015602214 2037-4895 nnns volume:55 year:1968 number:2 day:01 month:06 pages:476-480 https://doi.org/10.1007/BF02711656 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OPC-AST AR 55 1968 2 01 06 476-480 |
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10.1007/BF02711656 doi (DE-627)OLC2087170177 (DE-He213)BF02711656-p DE-627 ger DE-627 rakwb eng 530 VZ Liquori, A. M. verfasserin aut Van der Waals interactions and the packing of molecular crystals 1968 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Socictà Italiana di Fisica 1968 Summary The potential energy of the tetragonal phase of adamantane, which crystallizes in space groupP421C, has been computed as a function of the unit cell parametersa andc and of the angleψ, which represents a rotation about the tetragonal axisc, by using potential functions in order to describe interactions between nonbonded atoms. The results show that the parametersψ anda andc may be predicted succesfully within $ 1^{o} $ and within about 2% respectively when suitable sets of potential functions are used. Potential Energy Potential Function Adamantane Hexamethylbenzene Potential Func Giglio, E. aut Mazzarella, L. aut Enthalten in Il Nuovo Cimento B (1965-1970) Springer Berlin Heidelberg, 1971 55(1968), 2 vom: 01. Juni, Seite 476-480 (DE-627)130067806 (DE-600)441919-4 (DE-576)015602214 2037-4895 nnns volume:55 year:1968 number:2 day:01 month:06 pages:476-480 https://doi.org/10.1007/BF02711656 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OPC-AST AR 55 1968 2 01 06 476-480 |
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10.1007/BF02711656 doi (DE-627)OLC2087170177 (DE-He213)BF02711656-p DE-627 ger DE-627 rakwb eng 530 VZ Liquori, A. M. verfasserin aut Van der Waals interactions and the packing of molecular crystals 1968 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Socictà Italiana di Fisica 1968 Summary The potential energy of the tetragonal phase of adamantane, which crystallizes in space groupP421C, has been computed as a function of the unit cell parametersa andc and of the angleψ, which represents a rotation about the tetragonal axisc, by using potential functions in order to describe interactions between nonbonded atoms. The results show that the parametersψ anda andc may be predicted succesfully within $ 1^{o} $ and within about 2% respectively when suitable sets of potential functions are used. Potential Energy Potential Function Adamantane Hexamethylbenzene Potential Func Giglio, E. aut Mazzarella, L. aut Enthalten in Il Nuovo Cimento B (1965-1970) Springer Berlin Heidelberg, 1971 55(1968), 2 vom: 01. Juni, Seite 476-480 (DE-627)130067806 (DE-600)441919-4 (DE-576)015602214 2037-4895 nnns volume:55 year:1968 number:2 day:01 month:06 pages:476-480 https://doi.org/10.1007/BF02711656 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OPC-AST AR 55 1968 2 01 06 476-480 |
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Enthalten in Il Nuovo Cimento B (1965-1970) 55(1968), 2 vom: 01. Juni, Seite 476-480 volume:55 year:1968 number:2 day:01 month:06 pages:476-480 |
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Summary The potential energy of the tetragonal phase of adamantane, which crystallizes in space groupP421C, has been computed as a function of the unit cell parametersa andc and of the angleψ, which represents a rotation about the tetragonal axisc, by using potential functions in order to describe interactions between nonbonded atoms. The results show that the parametersψ anda andc may be predicted succesfully within $ 1^{o} $ and within about 2% respectively when suitable sets of potential functions are used. © Socictà Italiana di Fisica 1968 |
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Summary The potential energy of the tetragonal phase of adamantane, which crystallizes in space groupP421C, has been computed as a function of the unit cell parametersa andc and of the angleψ, which represents a rotation about the tetragonal axisc, by using potential functions in order to describe interactions between nonbonded atoms. The results show that the parametersψ anda andc may be predicted succesfully within $ 1^{o} $ and within about 2% respectively when suitable sets of potential functions are used. © Socictà Italiana di Fisica 1968 |
| abstract_unstemmed |
Summary The potential energy of the tetragonal phase of adamantane, which crystallizes in space groupP421C, has been computed as a function of the unit cell parametersa andc and of the angleψ, which represents a rotation about the tetragonal axisc, by using potential functions in order to describe interactions between nonbonded atoms. The results show that the parametersψ anda andc may be predicted succesfully within $ 1^{o} $ and within about 2% respectively when suitable sets of potential functions are used. © Socictà Italiana di Fisica 1968 |
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<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">OLC2087170177</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230401104413.0</controlfield><controlfield tag="007">tu</controlfield><controlfield tag="008">230302s1968 xx ||||| 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1007/BF02711656</subfield><subfield code="2">doi</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)OLC2087170177</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-He213)BF02711656-p</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">530</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Liquori, A. M.</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Van der Waals interactions and the packing of molecular crystals</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">1968</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">Text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">ohne Hilfsmittel zu benutzen</subfield><subfield code="b">n</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Band</subfield><subfield code="b">nc</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="500" ind1=" " ind2=" "><subfield code="a">© Socictà Italiana di Fisica 1968</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Summary The potential energy of the tetragonal phase of adamantane, which crystallizes in space groupP421C, has been computed as a function of the unit cell parametersa andc and of the angleψ, which represents a rotation about the tetragonal axisc, by using potential functions in order to describe interactions between nonbonded atoms. The results show that the parametersψ anda andc may be predicted succesfully within $ 1^{o} $ and within about 2% respectively when suitable sets of potential functions are used.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Potential Energy</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Potential Function</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Adamantane</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Hexamethylbenzene</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Potential Func</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Giglio, E.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Mazzarella, L.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="t">Il Nuovo Cimento B (1965-1970)</subfield><subfield code="d">Springer Berlin Heidelberg, 1971</subfield><subfield code="g">55(1968), 2 vom: 01. Juni, Seite 476-480</subfield><subfield code="w">(DE-627)130067806</subfield><subfield code="w">(DE-600)441919-4</subfield><subfield code="w">(DE-576)015602214</subfield><subfield code="x">2037-4895</subfield><subfield code="7">nnns</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:55</subfield><subfield code="g">year:1968</subfield><subfield code="g">number:2</subfield><subfield code="g">day:01</subfield><subfield code="g">month:06</subfield><subfield code="g">pages:476-480</subfield></datafield><datafield tag="856" ind1="4" ind2="1"><subfield code="u">https://doi.org/10.1007/BF02711656</subfield><subfield code="z">lizenzpflichtig</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_OLC</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-PHY</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OPC-AST</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">55</subfield><subfield code="j">1968</subfield><subfield code="e">2</subfield><subfield code="b">01</subfield><subfield code="c">06</subfield><subfield code="h">476-480</subfield></datafield></record></collection>
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