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Publication : international journal of quantum chemistry

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Academic Journal

Bond dissociation energies of the fifth‐row elements (InI): A quantum theoretical benchmark study.

Authors : Badran, Ismail¹ (AUTHOR) ; Hashlamoun, Kotaybah² (AUTHOR); Nassar, Nashaat N.² (AUTHOR)

Source: International Journal of Quantum Chemistry. 12/5/2023, Vol. 123 Issue 23, p1-15. 15p.

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Academic Journal

Studies of molecular dissociation by means of restricted and unrestricted treatments within the doubly occupied configuration interaction framework.

Authors : Garcia, Javier¹ (AUTHOR); Oña, Ofelia B.² (AUTHOR); Torre, Alicia³ (AUTHOR)

Source: International Journal of Quantum Chemistry. 7/15/2023, Vol. 123 Issue 14, p1-10. 10p.

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Academic Journal

Exploring the scaling limitations of the variational quantum eigensolver with the bond dissociation of hydride diatomic molecules.

Authors : Clary, Jacob M.¹ (AUTHOR); Jones, Eric B.² (AUTHOR); Vigil‐Fowler, Derek¹ (AUTHOR)

Source: International Journal of Quantum Chemistry. 6/5/2023, Vol. 123 Issue 11, p1-13. 13p.

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Academic Journal

First principles study of O2 dissociation on Pt(111) surface: Stepwise mechanism.

Authors : Li, Rui¹; Li, Haibo¹; Liu, Jifeng²

Source: International Journal of Quantum Chemistry. Jun2016, Vol. 116 Issue 12, p908-914. 9p.

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Academic Journal

Theoretical study on the thermal dissociation of FOX‐7 promoted by NO2.

Authors : Zhu, Qiong^1,2 (AUTHOR); Zhou, Panwang³ (AUTHOR); Liu, Jianyong² (AUTHOR)

Source: International Journal of Quantum Chemistry. 4/5/2022, Vol. 122 Issue 7, p1-10. 10p.

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Academic Journal

Dissociation energy and electronic structure of the low valent lanthanide compound NdF+.

Authors : South, Christopher¹; Schoendorff, George^1,2; Wilson, Angela K.^1,2

Source: International Journal of Quantum Chemistry. May2016, Vol. 116 Issue 10, p791-794. 4p.

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Academic Journal

A Dataset of Highly Accurate Homolytic N-Br Bond Dissociation Energies Obtained by Means of W2 Theory.

Authors : O'Reilly, Robert J.¹; Karton, Amir²

Source: International Journal of Quantum Chemistry. 1/5/2016, Vol. 116 Issue 1, p52-60. 9p.

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Academic Journal

A noteworthy feature of bond dissociation/formation reactions.

Authors : Politzer, Peter^1,2 (AUTHOR) ; Murray, Jane S.² (AUTHOR); Lane, Pat¹ (AUTHOR)

Source: International Journal of Quantum Chemistry. 2007, Vol. 107 Issue 11, p2153-2157. 5p. 1 Chart, 2 Graphs.

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Academic Journal

Structure and dissociation energy of weakly bound H2n+1+ (n = 5-8) complexes.

Authors : Seo, Hyun‐Il¹ (AUTHOR); Sun, Ju‐Yong¹ (AUTHOR); Shin, Chang‐Ho² (AUTHOR)

Source: International Journal of Quantum Chemistry. 2007, Vol. 107 Issue 4, p988-997. 10p. 3 Diagrams, 5 Charts.

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Dissociation of the fluorine molecule: CASCCSD method and other many-particle models.

Authors : Ivanov, Vladimir V.¹ (AUTHOR); Adamowicz, Ludwik² (AUTHOR) ; Lyakh, Dmitry I.¹ (AUTHOR)

Source: International Journal of Quantum Chemistry. 2006, Vol. 106 Issue 14, p2875-2880. 6p. 4 Charts.

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نتائج البحث

فلترة النتائج

Bond dissociation energies of the fifth‐row elements (InI): A quantum theoretical benchmark study.

Studies of molecular dissociation by means of restricted and unrestricted treatments within the doubly occupied configuration interaction framework.

Exploring the scaling limitations of the variational quantum eigensolver with the bond dissociation of hydride diatomic molecules.

First principles study of O2 dissociation on Pt(111) surface: Stepwise mechanism.

Theoretical study on the thermal dissociation of FOX‐7 promoted by NO2.

Dissociation energy and electronic structure of the low valent lanthanide compound NdF+.

A Dataset of Highly Accurate Homolytic N-Br Bond Dissociation Energies Obtained by Means of W2 Theory.

A noteworthy feature of bond dissociation/formation reactions.

Structure and dissociation energy of weakly bound H2n+1+ (n = 5-8) complexes.

Dissociation of the fluorine molecule: CASCCSD method and other many-particle models.

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