181 related articles for article (PubMed ID: 16451044)
1. Origin of rotational barriers of the N-N bond in hydrazine: NBO analysis.
Song JW; Lee HJ; Choi YS; Yoon CJ
J Phys Chem A; 2006 Feb; 110(5):2065-71. PubMed ID: 16451044
[TBL] [Abstract][Full Text] [Related]
2. Origin of methyl torsional barrier in 1-methyl-2(1H)-pyridinimine and 3-methyl-2(1H)-pyridone: II. Ground state.
Pradhan B; Sinha RK; Singh BP; Kundu T
J Chem Phys; 2007 Mar; 126(11):114313. PubMed ID: 17381212
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. Theoretical studies on the role of pi-electron delocalization in determining the conformation of N-benzylideneaniline with three types of LMO basis sets.
Bao P; Yu ZH
J Comput Chem; 2006 May; 27(7):809-24. PubMed ID: 16541429
[TBL] [Abstract][Full Text] [Related]
5. Conformation-specific Raman bands and electronic conjugation in substituted thioanisoles.
Yamakita Y; Okazaki T; Ohno K
J Phys Chem A; 2008 Nov; 112(47):12220-7. PubMed ID: 18980363
[TBL] [Abstract][Full Text] [Related]
6. Barriers to internal rotation around the C-N bond in 3-(o-aryl)-5-methyl-rhodanines using NMR spectroscopy and computational studies. Electron density topological analysis of the transition states.
Aydeniz Y; Oguz F; Yaman A; Konuklar AS; Dogan I; Aviyente V; Klein RA
Org Biomol Chem; 2004 Sep; 2(17):2426-36. PubMed ID: 15326522
[TBL] [Abstract][Full Text] [Related]
7. Origins of Rotational Barriers in Hydrogen Peroxide and Hydrazine.
Song L; Liu M; Wu W; Zhang Q; Mo Y
J Chem Theory Comput; 2005 May; 1(3):394-402. PubMed ID: 26641506
[TBL] [Abstract][Full Text] [Related]
8. Theoretical analysis of the rotational barrier of ethane.
Mo Y; Gao J
Acc Chem Res; 2007 Feb; 40(2):113-9. PubMed ID: 17309192
[TBL] [Abstract][Full Text] [Related]
9. Orbital overlap and chemical bonding.
Krapp A; Bickelhaupt FM; Frenking G
Chemistry; 2006 Dec; 12(36):9196-216. PubMed ID: 17024702
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. Toward understanding the nature of internal rotation barriers with a new energy partition scheme: ethane and n-butane.
Liu S; Govind N
J Phys Chem A; 2008 Jul; 112(29):6690-9. PubMed ID: 18563887
[TBL] [Abstract][Full Text] [Related]
12. "Amide resonance" correlates with a breadth of C-N rotation barriers.
Kemnitz CR; Loewen MJ
J Am Chem Soc; 2007 Mar; 129(9):2521-8. PubMed ID: 17295481
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. An evaluation of amide group planarity in 7-azabicyclo[2.2.1]heptane amides. Low amide bond rotation barrier in solution.
Otani Y; Nagae O; Naruse Y; Inagaki S; Ohno M; Yamaguchi K; Yamamoto G; Uchiyama M; Ohwada T
J Am Chem Soc; 2003 Dec; 125(49):15191-9. PubMed ID: 14653754
[TBL] [Abstract][Full Text] [Related]
15. Origin of methyl torsional barrier in 1-methyl-2-(1H)-pyridone.
Pradhan B; Singh BP; Nandi CK; Chakraborty T; Kundu T
J Chem Phys; 2005 May; 122(20):204323. PubMed ID: 15945740
[TBL] [Abstract][Full Text] [Related]
16. Steric strain versus hyperconjugative stabilization in ethane congeners.
Song L; Lin Y; Wu W; Zhang Q; Mo Y
J Phys Chem A; 2005 Mar; 109(10):2310-6. PubMed ID: 16839001
[TBL] [Abstract][Full Text] [Related]
17. Role of the Fermi surface in adsorbate-metal interactions: an energy decomposition analysis.
Philipsen PH; Baerends EJ
J Phys Chem B; 2006 Jun; 110(25):12470-9. PubMed ID: 16800574
[TBL] [Abstract][Full Text] [Related]
18. Conformational preferences of proline analogues with different ring size.
Jhon JS; Kang YK
J Phys Chem B; 2007 Apr; 111(13):3496-507. PubMed ID: 17388495
[TBL] [Abstract][Full Text] [Related]
19. Ab initio study of the torsional potential energy surfaces of N2O3 and N2O4: origin of the torsional barriers.
Halpern AM; Glendening ED
J Chem Phys; 2007 Apr; 126(15):154305. PubMed ID: 17461624
[TBL] [Abstract][Full Text] [Related]
20. Chemical bonding in phosphane and amine complexes of main group elements and transition metals.
Bessac F; Frenking G
Inorg Chem; 2006 Aug; 45(17):6956-64. PubMed ID: 16903755
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
