290 related articles for article (PubMed ID: 17238174)
1. New insights on the bridge carbon-carbon bond in propellanes: a theoretical study based on the analysis of the electron localization function.
Polo V; Andres J; Silvi B
J Comput Chem; 2007 Apr; 28(5):857-64. PubMed ID: 17238174
[TBL] [Abstract][Full Text] [Related]
2. The structure and chemical bonding in the N(2)-CuX and N(2)...XCu (X = F, Cl, Br) systems studied by means of the molecular orbital and Quantum Chemical Topology methods.
Kisowska K; Berski S; Latajka Z
J Comput Chem; 2008 Dec; 29(16):2677-92. PubMed ID: 18484638
[TBL] [Abstract][Full Text] [Related]
3. A theoretical study on the reaction mechanism for the bergman cyclization from the perspective of the electron localization function and catastrophe theory.
Santos JC; Andres J; Aizman A; Fuentealba P; Polo V
J Phys Chem A; 2005 Apr; 109(16):3687-93. PubMed ID: 16839035
[TBL] [Abstract][Full Text] [Related]
4. Aromaticity and electron affinity of Carbo(k)-[3]radialenes, k=0, 1, 2.
Lepetit C; Brøndsted Nielsen M; Diederich F; Chauvin R
Chemistry; 2003 Oct; 9(20):5056-66. PubMed ID: 14562323
[TBL] [Abstract][Full Text] [Related]
5. On the nature of metal-carbon bonding: AIM and ELF analyses of MCH(n) (n = 1-3) compounds containing early transition metals.
Vidal I; Melchor S; Dobado JA
J Phys Chem A; 2005 Aug; 109(33):7500-8. PubMed ID: 16834119
[TBL] [Abstract][Full Text] [Related]
6. Hexacoordinate bonding and aromaticity in silicon phthalocyanine.
Yang Y
J Phys Chem A; 2010 Dec; 114(50):13257-67. PubMed ID: 21105726
[TBL] [Abstract][Full Text] [Related]
7. An excursion from normal to inverted C-C bonds shows a clear demarcation between covalent and charge-shift C-C bonds.
Shaik S; Chen Z; Wu W; Stanger A; Danovich D; Hiberty PC
Chemphyschem; 2009 Oct; 10(15):2658-69. PubMed ID: 19823998
[TBL] [Abstract][Full Text] [Related]
8. Charge-shift bonding--a class of electron-pair bonds that emerges from valence bond theory and is supported by the electron localization function approach.
Shaik S; Danovich D; Silvi B; Lauvergnat DL; Hiberty PC
Chemistry; 2005 Oct; 11(21):6358-71. PubMed ID: 16086335
[TBL] [Abstract][Full Text] [Related]
9. Theoretical study on structures and aromaticities of P5(-) anion, [Ti (eta(5)-P5)]- and sandwich complex [Ti(eta(5)-P5)2]2-.
Liu ZZ; Tian WQ; Feng JK; Zhang G; Li WQ
J Phys Chem A; 2005 Jun; 109(25):5645-55. PubMed ID: 16833897
[TBL] [Abstract][Full Text] [Related]
10. Accounting for the differences in the structures and relative energies of the highly homoatomic np pi-np pi (n > or = 3)-bonded S2I4 2+, the Se-I pi-bonded Se2I4 2+, and their higher-energy isomers by AIM, MO, NBO, and VB methodologies.
Brownridge S; Crawford MJ; Du H; Harcourt RD; Knapp C; Laitinen RS; Passmore J; Rautiainen JM; Suontamo RJ; Valkonen J
Inorg Chem; 2007 Feb; 46(3):681-99. PubMed ID: 17257010
[TBL] [Abstract][Full Text] [Related]
11. Carbon-carbon bond activation of 2,2,6,6-tetramethyl-piperidine-1-oxyl by a Rh(II) metalloradical: a combined experimental and theoretical study.
Chan KS; Li XZ; Dzik WI; de Bruin B
J Am Chem Soc; 2008 Feb; 130(6):2051-61. PubMed ID: 18205361
[TBL] [Abstract][Full Text] [Related]
12. The chemical bond in polyphosphides: crystal structures, the electron localization function, and a new view of aromaticity in P4(2-) and P5(-).
Kraus F; Korber N
Chemistry; 2005 Oct; 11(20):5945-59. PubMed ID: 16052658
[TBL] [Abstract][Full Text] [Related]
13. Electron localization function and electron localizability indicator applied to study the bonding in the peroxynitrous acid HOONO.
Berski S; Latajka Z; Gordon AJ
J Comput Chem; 2011 Jun; 32(8):1528-40. PubMed ID: 21284004
[TBL] [Abstract][Full Text] [Related]
14. Topological and orbital-based mechanisms of the electronic stabilization of bis(diisopropylamino)cyclopropenylidene.
Johnson LE; DuPré DB
J Phys Chem A; 2008 Aug; 112(32):7448-54. PubMed ID: 18636718
[TBL] [Abstract][Full Text] [Related]
15. The delocalization index as an electronic aromaticity criterion: application to a series of planar polycyclic aromatic hydrocarbons.
Poater J; Fradera X; Duran M; Solà M
Chemistry; 2003 Jan; 9(2):400-6. PubMed ID: 12532288
[TBL] [Abstract][Full Text] [Related]
16. The role of the 5f orbitals in bonding, aromaticity, and reactivity of planar isocyclic and heterocyclic uranium clusters.
Tsipis AC; Kefalidis CE; Tsipis CA
J Am Chem Soc; 2008 Jul; 130(28):9144-55. PubMed ID: 18570422
[TBL] [Abstract][Full Text] [Related]
17. Ab initio calculation of carbon clusters. II. Relative stabilities of fullerene and nonfullerene C24.
An W; Shao N; Bulusu S; Zeng XC
J Chem Phys; 2008 Feb; 128(8):084301. PubMed ID: 18315040
[TBL] [Abstract][Full Text] [Related]
18. A theoretical study on the electronic structure of Au-XO(0,-1,+1) (X=C, N, and O) complexes: effect of an external electric field.
Tielens F; Gracia L; Polo V; Andrés J
J Phys Chem A; 2007 Dec; 111(50):13255-63. PubMed ID: 18020318
[TBL] [Abstract][Full Text] [Related]
19. New findings on the Diels-Alder reactions. An analysis based on the bonding evolution theory.
Berski S; Andrés J; Silvi B; Domingo LR
J Phys Chem A; 2006 Dec; 110(51):13939-47. PubMed ID: 17181354
[TBL] [Abstract][Full Text] [Related]
20. A theoretical and structural investigation of thiocarbon anions.
Chen Z; Sutton LR; Moran D; Hirsch A; Thiel W; Schleyer Pv
J Org Chem; 2003 Nov; 68(23):8808-14. PubMed ID: 14604348
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]