150 related articles for article (PubMed ID: 16528769)
1. A model of the chemical bond must be rooted in quantum mechanics, provide insight, and possess predictive power.
Poater J; Solà M; Bickelhaupt FM
Chemistry; 2006 Mar; 12(10):2902-5. PubMed ID: 16528769
[TBL] [Abstract][Full Text] [Related]
2. Definition of molecular structure: by choice or by appeal to observation?
Bader RF
J Phys Chem A; 2010 Jul; 114(28):7431-44. PubMed ID: 20550157
[TBL] [Abstract][Full Text] [Related]
3. Bond paths are not chemical bonds.
Bader RF
J Phys Chem A; 2009 Sep; 113(38):10391-6. PubMed ID: 19722600
[TBL] [Abstract][Full Text] [Related]
4. Bond order and valence indices: a personal account.
Mayer I
J Comput Chem; 2007 Jan; 28(1):204-21. PubMed ID: 17066501
[TBL] [Abstract][Full Text] [Related]
5. Polycyclic benzenoids: why kinked is more stable than straight.
Poater J; Visser R; Solà M; Bickelhaupt FM
J Org Chem; 2007 Feb; 72(4):1134-42. PubMed ID: 17288368
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Valence bond theory for chemical dynamics.
Truhlar DG
J Comput Chem; 2007 Jan; 28(1):73-86. PubMed ID: 17058184
[TBL] [Abstract][Full Text] [Related]
8. Chemical interpretation of molecular electron density distributions.
Henn J; Leusser D; Stalke D
J Comput Chem; 2007 Nov; 28(14):2317-24. PubMed ID: 17631649
[TBL] [Abstract][Full Text] [Related]
9. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
Glover WJ; Larsen RE; Schwartz BJ
J Chem Phys; 2008 Oct; 129(16):164505. PubMed ID: 19045282
[TBL] [Abstract][Full Text] [Related]
10. A QUICKSTEP-based quantum mechanics/molecular mechanics approach for silica.
Zipoli F; Laino T; Laio A; Bernasconi M; Parrinello M
J Chem Phys; 2006 Apr; 124(15):154707. PubMed ID: 16674251
[TBL] [Abstract][Full Text] [Related]
11. The nature of the hydrogen bond: a synthesis from the interacting quantum atoms picture.
Martín Pendás A; Blanco MA; Francisco E
J Chem Phys; 2006 Nov; 125(18):184112. PubMed ID: 17115743
[TBL] [Abstract][Full Text] [Related]
12. Redistributed charge and dipole schemes for combined quantum mechanical and molecular mechanical calculations.
Lin H; Truhlar DG
J Phys Chem A; 2005 May; 109(17):3991-4004. PubMed ID: 16833721
[TBL] [Abstract][Full Text] [Related]
13. Theoretical analysis of the electronic properties of the sex pheromone and its analogue derivatives in the female processionary moth Thaumetopoea pytiocampa.
Chamorro ER; Sequeira AF; Zalazar MF; Peruchena NM
Bioorg Med Chem; 2008 Sep; 16(18):8535-45. PubMed ID: 18752964
[TBL] [Abstract][Full Text] [Related]
14. Toward a physical understanding of electron-sharing two-center bonds. I. General aspects.
Bitter T; Ruedenberg K; Schwarz WH
J Comput Chem; 2007 Jan; 28(1):411-22. PubMed ID: 17143871
[TBL] [Abstract][Full Text] [Related]
15. Bond paths as privileged exchange channels.
Pendás AM; Francisco E; Blanco MA; Gatti C
Chemistry; 2007; 13(33):9362-71. PubMed ID: 17674344
[TBL] [Abstract][Full Text] [Related]
16. Steric repulsions, rotation barriers, and stereoelectronic effects: a real space perspective.
Pendás AM; Blanco MA; Francisco E
J Comput Chem; 2009 Jan; 30(1):98-109. PubMed ID: 18536054
[TBL] [Abstract][Full Text] [Related]
17. Accurate theoretical chemistry with coupled pair models.
Neese F; Hansen A; Wennmohs F; Grimme S
Acc Chem Res; 2009 May; 42(5):641-8. PubMed ID: 19296607
[TBL] [Abstract][Full Text] [Related]
18. Valence-bond/coherent-states approach to the charge equilibration model I. Valence-bond models for diatomic molecules.
Morales JA
J Phys Chem A; 2009 May; 113(20):6004-15. PubMed ID: 19391590
[TBL] [Abstract][Full Text] [Related]
19. Chemical bonding in view of electron charge density and kinetic energy density descriptors.
Jacobsen H
J Comput Chem; 2009 May; 30(7):1093-102. PubMed ID: 19090572
[TBL] [Abstract][Full Text] [Related]
20. Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)n photodissociation dynamics as a case study.
Koch DM; Peslherbe GH
J Phys Chem B; 2008 Jan; 112(2):636-49. PubMed ID: 18183959
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]