497 related articles for article (PubMed ID: 20550157)
1. 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]
2. 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]
3. Role of directed van der Waals bonded interactions in the determination of the structures of molecular arsenate solids.
Gibbs GV; Wallace AF; Cox DF; Dove PM; Downs RT; Ross NL; Rosso KM
J Phys Chem A; 2009 Jan; 113(4):736-49. PubMed ID: 19123777
[TBL] [Abstract][Full Text] [Related]
4. Molecular model with quantum mechanical bonding information.
Bohórquez HJ; Boyd RJ; Matta CF
J Phys Chem A; 2011 Nov; 115(45):12991-7. PubMed ID: 21894893
[TBL] [Abstract][Full Text] [Related]
5. Ab initio investigation of the complexes between bromobenzene and several electron donors: some insights into the magnitude and nature of halogen bonding interactions.
Lu YX; Zou JW; Wang YH; Jiang YJ; Yu QS
J Phys Chem A; 2007 Oct; 111(42):10781-8. PubMed ID: 17918810
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Hydrogen-hydrogen bonding: a stabilizing interaction in molecules and crystals.
Matta CF; Hernández-Trujillo J; Tang TH; Bader RF
Chemistry; 2003 May; 9(9):1940-51. PubMed ID: 12740840
[TBL] [Abstract][Full Text] [Related]
8. Atoms-in-molecules study of the genetically encoded amino acids. III. Bond and atomic properties and their correlations with experiment including mutation-induced changes in protein stability and genetic coding.
Matta CF; Bader RF
Proteins; 2003 Aug; 52(3):360-99. PubMed ID: 12866050
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. 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]
11. 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]
12. Developing paradigms of chemical bonding: adaptive natural density partitioning.
Zubarev DY; Boldyrev AI
Phys Chem Chem Phys; 2008 Sep; 10(34):5207-17. PubMed ID: 18728862
[TBL] [Abstract][Full Text] [Related]
13. Toward a consistent interpretation of the QTAIM: tortuous link between chemical bonds, interactions, and bond/line paths.
Foroutan-Nejad C; Shahbazian S; Marek R
Chemistry; 2014 Aug; 20(32):10140-52. PubMed ID: 24990224
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. View of lone electron pairs and their role in structural chemistry.
Brown ID
J Phys Chem A; 2011 Nov; 115(45):12638-45. PubMed ID: 21714559
[TBL] [Abstract][Full Text] [Related]
16. A new force field (ECEPP-05) for peptides, proteins, and organic molecules.
Arnautova YA; Jagielska A; Scheraga HA
J Phys Chem B; 2006 Mar; 110(10):5025-44. PubMed ID: 16526746
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. 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]
19. The experimental and theoretical QTAIMC study of the atomic and molecular interactions in dinitrogen tetroxide.
Tsirelson VG; Shishkina AV; Stash AI; Parsons S
Acta Crystallogr B; 2009 Oct; 65(Pt 5):647-58. PubMed ID: 19767687
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]