211 related articles for article (PubMed ID: 16759136)
1. Equilibrium structures for butadiene and ethylene: compelling evidence for pi-electron delocalization in butadiene.
Craig NC; Groner P; McKean DC
J Phys Chem A; 2006 Jun; 110(23):7461-9. PubMed ID: 16759136
[TBL] [Abstract][Full Text] [Related]
2. Molecular structure of 9H-adenine tautomer: gas-phase electron diffraction and quantum-chemical studies.
Vogt N; Dorofeeva OV; Sipachev VA; Rykov AN
J Phys Chem A; 2009 Dec; 113(49):13816-23. PubMed ID: 19863126
[TBL] [Abstract][Full Text] [Related]
3. Study of the thymine molecule: equilibrium structure from joint analysis of gas-phase electron diffraction and microwave data and assignment of vibrational spectra using results of ab initio calculations.
Vogt N; Khaikin LS; Grikina OE; Rykov AN; Vogt J
J Phys Chem A; 2008 Aug; 112(33):7662-70. PubMed ID: 18665577
[TBL] [Abstract][Full Text] [Related]
4. Interference effect and the nature of the pi-bonding in 1,3-butadiene.
Cardozo TM; Nascimento Freitas G; Nascimento MA
J Phys Chem A; 2010 Aug; 114(33):8798-805. PubMed ID: 20527866
[TBL] [Abstract][Full Text] [Related]
5. A reactive bond orbital investigation of the Diels-Alder reaction between 1,3-butadiene and ethylene: Energy decomposition, state correlation diagram, and electron density analyses.
Hirao H
J Comput Chem; 2008 Jul; 29(9):1399-407. PubMed ID: 18213608
[TBL] [Abstract][Full Text] [Related]
6. Molecular structure and conformational composition of 1,3-dihydroxyacetone studied by combined analysis of gas-phase electron diffraction data, rotational constants, and results of theoretical calculations. Ideal gas thermodynamic properties of 1,3-dihydroxyacetone.
Dorofeeva OV; Vogt N; Vogt J; Popik MV; Rykov AN; Vilkov LV
J Phys Chem A; 2007 Jul; 111(28):6434-42. PubMed ID: 17595068
[TBL] [Abstract][Full Text] [Related]
7. Microwave spectra of the deuterium isotopologues of cis-hexatriene and a semiexperimental equilibrium structure.
Craig NC; Chen Y; Fuson HA; Tian H; van Besien H; Conrad AR; Tubergen MJ; Rudolph HD; Demaison J
J Phys Chem A; 2013 Oct; 117(39):9391-400. PubMed ID: 23237234
[TBL] [Abstract][Full Text] [Related]
8. Solid-state NMR spectra and long intradimer bonds in the pi-[TCNE]22- dianion.
Strohmeier M; Barich DH; Grant DM; Miller JS; Pugmire RJ; Simons J
J Phys Chem A; 2006 Jun; 110(25):7962-9. PubMed ID: 16789786
[TBL] [Abstract][Full Text] [Related]
9. s-trans-1,3-butadiene and isotopomers: vibrational spectra, scaled quantum-chemical force fields, fermi resonances, and C-H bond properties.
McKean DC; Craig NC; Panchenko YN
J Phys Chem A; 2006 Jul; 110(26):8044-59. PubMed ID: 16805490
[TBL] [Abstract][Full Text] [Related]
10. More user-friendly phosphines? Molecular structure of methylphosphine and its adduct with borane, studied by gas-phase electron diffraction and quantum chemical calculations.
Noble-Eddy R; Masters SL; Rankin DW; Wann DA; Khater B; Guillemin JC
Dalton Trans; 2008 Oct; (37):5041-7. PubMed ID: 18802618
[TBL] [Abstract][Full Text] [Related]
11. Molecular structure, conformation, and potential to internal rotation of 2,6- and 3,5-difluoronitrobenzene studied by gas-phase electron diffraction and quantum chemical calculations.
Dorofeeva OV; Ferenets AV; Karasev NM; Vilkov LV; Oberhammer H
J Phys Chem A; 2008 Jun; 112(22):5002-9. PubMed ID: 18461918
[TBL] [Abstract][Full Text] [Related]
12. Microwave spectrum, structure, and quantum chemical studies of a compound of potential astrochemical and astrobiological interest: Z-3-amino-2-propenenitrile.
Askeland E; Møllendal H; Uggerud E; Guillemin JC; Aviles Moreno JR; Demaison J; Huet TR
J Phys Chem A; 2006 Nov; 110(46):12572-84. PubMed ID: 17107106
[TBL] [Abstract][Full Text] [Related]
13. S-(fluoroformyl)O-(trifluoroacetyl) thioperoxide, FC(O)S-OC(O)CF3: gas-phase structure and conformational properties.
Ulic SE; Kosma A; Della Vedova CO; Willner H; Oberhammer H
J Phys Chem A; 2006 Aug; 110(34):10201-5. PubMed ID: 16928108
[TBL] [Abstract][Full Text] [Related]
14. Isomerization barriers and strain energies of selected dihydropyridines and pyrans with trans double bonds.
Davis SR; Veals JD; Scardino DJ; Zhao Z
J Phys Chem A; 2009 Jul; 113(30):8724-30. PubMed ID: 19719317
[TBL] [Abstract][Full Text] [Related]
15. Spectroscopic and quantum chemical study of the novel compound cyclopropylmethylselenol.
Cole GC; Møllendal H; Guillemin JC
J Phys Chem A; 2006 Feb; 110(6):2134-8. PubMed ID: 16466248
[TBL] [Abstract][Full Text] [Related]
16. Accurate determination of the structure of cyclooctatetraene by femtosecond rotational coherence spectroscopy and ab initio calculations.
Kummli DS; Lobsiger S; Frey HM; Leutwyler S; Stanton JF
J Phys Chem A; 2008 Sep; 112(38):9134-43. PubMed ID: 18754607
[TBL] [Abstract][Full Text] [Related]
17. Quantification of the (anti)aromaticity of fulvalenes subjected to pi-electron cross-delocalization.
Kleinpeter E; Holzberger A; Wacker P
J Org Chem; 2008 Jan; 73(1):56-65. PubMed ID: 18072786
[TBL] [Abstract][Full Text] [Related]
18. Molecular structure and benzene ring deformation of three cyanobenzenes from gas-phase electron diffraction and quantum chemical calculations.
Campanelli AR; Domenicano A; Ramondo F; Hargittai I
J Phys Chem A; 2008 Oct; 112(43):10998-1008. PubMed ID: 18834088
[TBL] [Abstract][Full Text] [Related]
19. One-electron-reduced and -oxidized stages of donor-substituted 1,1,4,4-tetracyanobuta-1,3-dienes of different molecular architectures.
Kivala M; Stanoeva T; Michinobu T; Frank B; Gescheidt G; Diederich F
Chemistry; 2008; 14(25):7638-47. PubMed ID: 18642258
[TBL] [Abstract][Full Text] [Related]
20. Pi-systems as simultaneous hydride and hydrogen bond acceptors.
Alkorta I; Blanco F; Elguero J
J Phys Chem A; 2008 Jul; 112(29):6753-9. PubMed ID: 18593106
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]