1022 related articles for article (PubMed ID: 19191241)
1. Topology of electron charge density for chemical bonds from valence bond theory: a probe of bonding types.
Zhang L; Ying F; Wu W; Hiberty PC; Shaik S
Chemistry; 2009; 15(12):2979-89. PubMed ID: 19191241
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. 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]
4. 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]
5. The nature of the chemical bond revisited: an energy-partitioning analysis of nonpolar bonds.
Kovács A; Esterhuysen C; Frenking G
Chemistry; 2005 Mar; 11(6):1813-25. PubMed ID: 15672434
[TBL] [Abstract][Full Text] [Related]
6. Heterolytic bond dissociation in water: why is it so easy for C4H9Cl but not for C3H9SiCl?
Su P; Song L; Wu W; Shaik S; Hiberty PC
J Phys Chem A; 2008 Apr; 112(13):2988-97. PubMed ID: 18331015
[TBL] [Abstract][Full Text] [Related]
7. Topology of charge density of flucytosine and related molecules and characteristics of their bond charge distributions.
Murgich J; Franco HJ; San-Blas G
J Phys Chem A; 2006 Aug; 110(33):10106-15. PubMed ID: 16913685
[TBL] [Abstract][Full Text] [Related]
8. The physical chemistry of coordinated aqua-, ammine-, and mixed-ligand Co2+ complexes: DFT studies on the structure, energetics, and topological properties of the electron density.
Varadwaj PR; Marques HM
Phys Chem Chem Phys; 2010 Mar; 12(9):2126-38. PubMed ID: 20165761
[TBL] [Abstract][Full Text] [Related]
9. Electronic structure of the acetonitrile and acetonitrile dimer anions: a topological investigation.
Timerghazin QK; Peslherbe GH
J Phys Chem B; 2008 Jan; 112(2):520-8. PubMed ID: 18154288
[TBL] [Abstract][Full Text] [Related]
10. Topological analysis of the electronic charge density in the ethene protonation reaction catalyzed by acidic zeolite.
Zalazar MF; Peruchena NM
J Phys Chem A; 2007 Aug; 111(32):7848-59. PubMed ID: 17658733
[TBL] [Abstract][Full Text] [Related]
11. An experimental (120 K) and theoretical electron-density study of KMnO4 and KClO4.
Marabello D; Bianchi R; Gervasio G; Cargnoni F
Acta Crystallogr A; 2004 Sep; 60(Pt 5):494-501. PubMed ID: 15477690
[TBL] [Abstract][Full Text] [Related]
12. The physical origin of large covalent-ionic resonance energies in some two-electron bonds.
Hiberty PC; Ramozzi R; Song L; Wu W; Shaik S
Faraday Discuss; 2007; 135():261-72; discussion 367-401, 503-6. PubMed ID: 17328432
[TBL] [Abstract][Full Text] [Related]
13. The possible covalent nature of N-H...O hydrogen bonds in formamide dimer and related systems: an ab initio study.
Grabowski SJ; Sokalski WA; Leszczynski J
J Phys Chem A; 2006 Apr; 110(14):4772-9. PubMed ID: 16599445
[TBL] [Abstract][Full Text] [Related]
14. Halogen bonding: a study based on the electronic charge density.
Amezaga NJ; Pamies SC; Peruchena NM; Sosa GL
J Phys Chem A; 2010 Jan; 114(1):552-62. PubMed ID: 19919022
[TBL] [Abstract][Full Text] [Related]
15. Barriers of hydrogen abstraction vs halogen exchange: an experimental manifestation of charge-shift bonding.
Hiberty PC; Megret C; Song L; Wu W; Shaik S
J Am Chem Soc; 2006 Mar; 128(9):2836-43. PubMed ID: 16506761
[TBL] [Abstract][Full Text] [Related]
16. How resonance assists hydrogen bonding interactions: an energy decomposition analysis.
Beck JF; Mo Y
J Comput Chem; 2007 Jan; 28(1):455-66. PubMed ID: 17143867
[TBL] [Abstract][Full Text] [Related]
17. Classification of metal-oxide bonded interactions based on local potential- and kinetic-energy densities.
Gibbs GV; Cox DF; Crawford TD; Rosso KM; Ross NL; Downs RT
J Chem Phys; 2006 Feb; 124(8):084704. PubMed ID: 16512733
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. Linear M[triple bond]E-Me versus bent M-E-Me: bonding analysis in heavier metal-ylidyne complexes [(Cp)(CO)2M[triple bond]EMe] and metallo-ylidenes [(Cp)(CO)3M-EMe] (M = Cr, Mo, W; E = Si, Ge, Sn, Pb).
Pandey KK; Lledós A
Inorg Chem; 2009 Apr; 48(7):2748-59. PubMed ID: 19256519
[TBL] [Abstract][Full Text] [Related]
20. Topological analysis and charge density studies of an alpha-diimine macrocyclic complex of cobalt(II)--a combined experimental and theoretical study.
Lee JJ; Lee GH; Wang Y
Chemistry; 2002 Apr; 8(8):1821-32. PubMed ID: 12007092
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
