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Triple crossed 3 C26 cyclic cumulene catenane.

• Authors : Jäntschi, Lorentz

Subjects: MOLECULAR clusters; DENSITY functional theory; CUMULENES

• Source: Fullerenes, Nanotubes & Carbon Nanostructures; 2024, Vol. 32 Issue 10, p962-976, 15p

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Amine terminated polyynes as candidates for molecular wire applications: A DFT study.

• Authors : Balakrishnan, AbhayRam¹ (AUTHOR); Suresh, Rahul² (AUTHOR); Vijayakumar, S.^1,3 (AUTHOR)

Subjects: *NANOWIRES; *POLYYNES; *MOLECULAR orbitals

• Source: Physica E. Mar2022, Vol. 137, pN.PAG-N.PAG. 1p.

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Structure and chain polarization of long polyynes investigated with infrared and Raman spectroscopy.

• Authors : Agarwal, N. R.; Lucotti, A.; Fazzi, D.

Subjects: POLYYNES; POLARIZATION (Electrochemistry); DENSITY functional theory

• Source: Journal of Raman Spectroscopy; Oct2013, Vol. 44 Issue 10, p1398-1410, 13p

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A Metal-Capped Conjugated Polyyne Threaded througha Phenanthroline-Based Macrocycle. Probing beyond the Mechanical Bondto Interactions in Interlocked Molecular Architectures.

• Authors : Sahnoune, Hiba¹; Baranová, Zuzana¹; Bhuvanesh, Nattamai¹

Subjects: *CONJUGATED polymers; *POLYYNES; *PHENANTHROLINE

• Source: Organometallics. Nov2013, Vol. 32 Issue 21, p6360-6367. 8p.

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Synthesis and characterization of germa[n]pericyclynes.

• Authors : Hiroki Tanimoto; Tomohiko Nagao; Yasuhiro Nishiyama

Subjects: GERMANIUM compounds synthesis; ACETYLENE; NUCLEAR magnetic resonance spectroscopy

• Source: Dalton Transactions: An International Journal of Inorganic Chemistry; 2014, Vol. 43 Issue 22, p8338-8343, 6p

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Density functional study of platinum polyyne monomer, oligomer, and polymer: Ground state geometrical and electronic structures.

• Authors : Motaghiani, Shahram; Mirabbaszadeh, Kavoos

Subjects: DENSITY functional theory; PLATINUM; POLYYNES

• Source: International Journal of Quantum Chemistry; Jun2013, Vol. 113 Issue 11, p1650-1659, 10p, 3 Diagrams, 6 Charts, 5 Graphs

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Applied Science & Technology Full Text (H.W. Wilson)

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Structural and electronic properties of polyyne and cumulene chains with phenylene as central aromatic group: a density functional theory study.

• Authors : Balakrishnan, AbhayRam; Vijayakumar, Subramaniam

Subjects: DENSITY functional theory; FUNCTIONAL groups; GOLD clusters

• Source: Structural Chemistry; Apr2022, Vol. 33 Issue 2, p511-526, 16p

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Why Does the Optimal Tuning Method of the Range Separation Parameter of a Long-Range Corrected Density Functional Fail in Intramolecular Charge Transfer Excitation Calculations?

• Authors : Bae, Han-Seok; Ahn, Dae-Hwan; Song, Jong-Won

Subjects: INTRAMOLECULAR charge transfer; CHARGE transfer; DENSITY functional theory

• Source: Molecules; Sep2024, Vol. 29 Issue 18, p4423, 18p

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