Computations in treating fullerenes and carbon aggregates

Reviews in Computational Chemistry

Volumn 8, Issue , 1996, Pages 1-62

  Slanina, Zdeněk ^a,c,d   Lee, Shyi Long ^a   Yu, Chin Hui ^b  

^a NATIONAL CHUNG CHENG UNIVERSITY   (Taiwan)

^b NATIONAL TSING HUA UNIVERSITY   (Taiwan)

^c INSTITUTE OF MATHEMATICS   (Czech Republic)

^d NCCU ^*

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0042049921     PISSN: 10693599     EISSN: None     Source Type: Book Series    
DOI: None     Document Type: Article

References (417)

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297. 20.
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299. 2v Isomer.
300. 9.
301. 8 Ring Nonplanar?
302. 8 Nonplanar Ring.
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305. 11 Molecule.
306. 6: Complete Active Space Self-Consistent-Field and Multireference Configuration Interaction.
307. 10 Studied with Configuration Interaction Methods.
308. n Clusters (n = 6-9).
309. 5 and Higher Carbon Clusters.
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311. 9.
312. 10.
313. +: Experiment and Theory.
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317. 4 Molecule.
318. 10 Molecules.
319. 4(g) Isomers.
320. 5(g) Clusters.
321. 6.
322. 6(g) System.
323. 6(g) Cluster and Its Manifestations in the System Thermodynamics.
324. 13 Carbon Cluster.
325. 84.
326. 96.
327. 84 Fullerenes.
328. 84, to be published.
329. 76.
330. 76 Fullerene Isomers.
331. 76 Fullerene.
332. 78 Fullerene Isomers.
333. 78 Isomers: Temperature Dependence of Their Calculated Relative Stabilities.
334. 78 Fullerene Isomers.
335. 78 Competition Between Electronic and Steric Factors.
336. 84.
337. 2 Symmetry.
338. 84.
339. 60 Carbon Cages.
340. 70.
341. 12.
342. 2.
343. 70.
344. 2) Allotrope of Carbon.
345. 76.
346. 76.
347. 70 Fullerene Isomers Generated in Flames - Detection and Verification by Liquid Chromatography/Mass Spectrometry Analyses.
348. 76.
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350. Z. Slanina and S.-L. Lee, to be published.
351. 78.
352. 78.
353. 60.
354. .1 with Coordination Compounds - (Tetraphenylporphinato)Chromium(III) Fulleride.
355. 66.
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360. 60.
361. 60TDAE.
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366. 60 and Organic Ferromagnetism.
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371. 60 Functionalization Through Additions: Semiempirical MO Calculations.
372. 60 Framework.
373. 60O: Unexpected Ground State Geometry.
374. 70O: Oxygen Bridging at the Equatorial Belt.
375. 60O, the First Fullerene Epoxide.
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377. 2 Calculated by a Damped Molecular Dynamics Optimization Scheme.
378. 2.
379. 60O Structures.
380. 2.
381. 60O Structures and Their Relative Stabilities: AM1 Computations.
382. 2.
383. 61: Synthesis and Properties of the Parent Fulleroid.
384. 2), the Parent Fullerene Cyclopropane: Synthesis and Structure.
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388. 2 Fulleroid: AM1 Computational Study.
389. 2.
390. 10: AM1 Computations.
391. 70 with Cyclopentadiene.
392. 10: AM1 Computational Study.
393. 60-Cyclopentadiene Adducts.
394. 60-Cyclopentadiene Diels-Alder Adduct.
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398. 60 Cage.
399. 60 Cluster.
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402. 60 and Endohedral Alkali Atoms.
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412. 24: A Hybrid Analogue of Buckminsterfullerene.
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