نتائج البحث

High-temperature expansion in self-consistent-field theory of spin-crossover compounds.

• Authors : Gudyma, Iu. V.¹ ; Daskal, Ye. M.¹

• Source: Semiconductor Physics, Quantum Electronics & Optoelectronics. 2011, Vol. 14 Issue 4, p393-398. 6p. 2 Diagrams, 3 Graphs.

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Understanding the Role of Solvents and Spin–Orbit Coupling in an Oxygen‐Assisted SN2‐Type Oxidative Transmetalation Reaction.

• Authors : Ghosh, Boyli¹ (AUTHOR); Banerjee, Ambar² (AUTHOR); Paul, Ankan¹ (AUTHOR)

• Source: Chemistry - A European Journal. 12/20/2019, Vol. 25 Issue 72, p16606-16616. 11p.

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CASPT2 Study on the Low-lying Electronic States of 1,3,5-C6H3Cl3+ Ion.

• Authors : Shu-Yuan Yu¹ ; Cheng-Gen Zhang^1,2; Shu-Jun Wang¹

• Source: Bulletin of the Korean Chemical Society. 2014, Vol. 35 Issue 5, p1511-1515. 5p.

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One-Dimensional Self-Consistent Model of the Sprite/Halo Influence on the Mesosphere Chemistry.

• Authors : Evtushenko, A.¹ ; Kuterin, F.¹

• Source: Radiophysics & Quantum Electronics. Apr2014, Vol. 56 Issue 11/12, p853-871. 19p.

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Principle of maximal randomness and parity violation in turbulence.

• Authors : Adzhemyan, L.¹ ; Hnatich, M. ; Kompaniets, M.¹

• Source: Theoretical & Mathematical Physics. Jul2013, Vol. 176 Issue 1, p835-842. 8p.

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Theoretical computation of low-lying electronic states of HCNS: A CASPT2 study.

• Authors : Kong, Chui‐Peng¹; Zhao, Zeng‐Xia¹; Zhang, Hong‐Xing¹

• Source: International Journal of Quantum Chemistry. May2013, Vol. 113 Issue 9, p1416-1421. 6p. 2 Diagrams, 4 Charts.

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A CASSCF/CASPT2 study on the low-lying electronic states of the CH3SS and its cation.

• Authors : Song, Ming‐Xing¹ (AUTHOR); Zhao, Zeng‐Xia¹ (AUTHOR); Zhang, Wei¹ (AUTHOR)

• Source: International Journal of Quantum Chemistry. Mar2012, Vol. 112 Issue 6, p1537-1546. 10p. 2 Diagrams, 6 Charts, 1 Graph.

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Self-consistent mappings and systems of interacting particles.

• Authors : Blank, M. L.¹

• Source: Doklady Mathematics. Feb2011, Vol. 83 Issue 1, p49-52. 4p.

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Multireference Perturbation Theory Assessment of Electronic structure, and Reactivity for Iron-Doped Gold Clusters.

• Authors : Almansori, Ali K.; Abd-Suhail, Falah S.

Subjects: PERTURBATION theory; GOLD clusters; ELECTRONIC structure

• Source: Journals Kufa for Chamical; 2023, Vol. 3 Issue 1, p288-297, 10p

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The combined CASPT2 and CASSCF studies on photolysis of 3-thienyldiazomethane and subsequent reactions.

• Authors : Guan, Pei-Jie¹; Fang, Wei-Hai¹

• Source: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Sep2014, Vol. 133 Issue 9, p1-8. 8p.

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