These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
165 related articles for article (PubMed ID: 15903329)
21. Dibenzo-p-dioxin. An ab initio CASSCF/CASPT2 study of the pi-pi* and n-pi* valence excited states. Ljubić I; Sabljić A J Phys Chem A; 2005 Sep; 109(36):8209-17. PubMed ID: 16834207 [TBL] [Abstract][Full Text] [Related]
22. A valence bond study of the low-lying states of the NF molecule. Su P; Wu W; Shaik S; Hiberty PC Chemphyschem; 2008 Jul; 9(10):1442-52. PubMed ID: 18509836 [TBL] [Abstract][Full Text] [Related]
23. Local aromaticity of the five-membered rings in acenaphthylene derivatives. Radenković S; Đurđević J; Bultinck P Phys Chem Chem Phys; 2012 Oct; 14(40):14067-78. PubMed ID: 22990523 [TBL] [Abstract][Full Text] [Related]
24. Applying the conjugated circuits method to Clar structures of [n]phenylenes for determining resonance energies. Randić M; Balaban AT; Plavšić D Phys Chem Chem Phys; 2011 Dec; 13(46):20644-8. PubMed ID: 21959858 [TBL] [Abstract][Full Text] [Related]
25. Spin coupling and resonance. Zielinski M; van Lenthe JH J Phys Chem A; 2008 Dec; 112(50):13197-202. PubMed ID: 18811126 [TBL] [Abstract][Full Text] [Related]
26. Nature of PO bonds in phosphates. Gamoke B; Neff D; Simons J J Phys Chem A; 2009 May; 113(19):5677-84. PubMed ID: 19378976 [TBL] [Abstract][Full Text] [Related]
27. The contributions of through-bond interactions to the singlet-triplet energy difference in 1,3-dehydrobenzene. Wei H; Hrovat DA; Mo Y; Hoffmann R; Borden WT J Phys Chem A; 2009 Sep; 113(38):10351-8. PubMed ID: 19711935 [TBL] [Abstract][Full Text] [Related]
28. Partitioning of pi-electrons in rings of polycyclic conjugated hydrocarbons. 5. Nonalternant compounds. Balaban AT; Randić M J Chem Inf Comput Sci; 2004; 44(5):1701-7. PubMed ID: 15446829 [TBL] [Abstract][Full Text] [Related]
29. A unified orbital model of delocalised and localised currents in monocycles, from annulenes to azabora-heterocycles. Soncini A; Domene C; Engelberts JJ; Fowler PW; Rassat A; van Lenthe JH; Havenith RW; Jenneskens LW Chemistry; 2005 Feb; 11(4):1257-66. PubMed ID: 15627952 [TBL] [Abstract][Full Text] [Related]
30. Periodic trends and index of boron LEwis acidity. Plumley JA; Evanseck JD J Phys Chem A; 2009 May; 113(20):5985-92. PubMed ID: 19388700 [TBL] [Abstract][Full Text] [Related]
31. Conjugated circuits currents in hexabenzocoronene and its derivatives formed by joining proximal carbons. Randić M; Vukičević D; Balaban AT; Vračko M; Plavšić D J Comput Chem; 2012 Apr; 33(11):1111-22. PubMed ID: 22344894 [TBL] [Abstract][Full Text] [Related]
32. The inter-ring sigma/(pi/pi) covalent interactions of cyclodimes of benzenes. Wang YF; Li ZR; Wang FF; Sun CC Phys Chem Chem Phys; 2009 Jan; 11(3):455-62. PubMed ID: 19283262 [TBL] [Abstract][Full Text] [Related]
33. Testing the validity of the conventional resonance model for protonated carbonyl, imine and thiocarbonyl compounds. An Ab initio valence bond study. Braïda B; Bundhoo D; Engels B; Hiberty PC Org Lett; 2008 May; 10(10):1951-4. PubMed ID: 18410122 [TBL] [Abstract][Full Text] [Related]
34. Blue-shifting hydrogen bond in the benzene-benzene and benzene-naphthalene complexes. Hermida-Ramón JM; Graña AM J Comput Chem; 2007 Jan; 28(2):540-6. PubMed ID: 17186487 [TBL] [Abstract][Full Text] [Related]
35. VBSM: a solvation model based on valence bond theory. Su P; Wu W; Kelly CP; Cramer CJ; Truhlar DG J Phys Chem A; 2008 Dec; 112(50):12761-8. PubMed ID: 18671376 [TBL] [Abstract][Full Text] [Related]
36. Characterizing the dimerizations of phenalenyl radicals by ab initio calculations and spectroscopy: sigma-bond formation versus resonance pi-stabilization. Small D; Rosokha SV; Kochi JK; Head-Gordon M J Phys Chem A; 2005 Dec; 109(49):11261-7. PubMed ID: 16331910 [TBL] [Abstract][Full Text] [Related]
37. Z/E-photoisomerizations of olefins with 4npi- or (4n + 2)pi-electron substituents: zigzag variations in olefin properties along the T(1) state energy surfaces. Kato H; Brink M; Möllerstedt H; Piqueras MC; Crespo R; Ottosson H J Org Chem; 2005 Nov; 70(23):9495-504. PubMed ID: 16268625 [TBL] [Abstract][Full Text] [Related]
38. Block-localized wavefunction (BLW) method at the density functional theory (DFT) level. Mo Y; Song L; Lin Y J Phys Chem A; 2007 Aug; 111(34):8291-301. PubMed ID: 17655207 [TBL] [Abstract][Full Text] [Related]
39. Ab-initio multireference study of an organic mixed-valence Spiro molecular system. Helal W; Evangelisti S; Leininger T; Maynau D J Comput Chem; 2009 Jan; 30(1):83-92. PubMed ID: 18512743 [TBL] [Abstract][Full Text] [Related]