319 related articles for article (PubMed ID: 21666904)
1. The valence electronic structure and conformational flexibility of epichlorohydrin.
Stranges S; Alagia M; Decleva P; Stener M; Fronzoni G; Toffoli D; Speranza M; Catone D; Turchini S; Prosperi T; Zema N; Contini G; Keheyan Y
Phys Chem Chem Phys; 2011 Jul; 13(27):12517-28. PubMed ID: 21666904
[TBL] [Abstract][Full Text] [Related]
2. Flexible H2O2 in water: electronic structure from photoelectron spectroscopy and ab initio calculations.
Thürmer S; Seidel R; Winter B; Ončák M; Slavíček P
J Phys Chem A; 2011 Jun; 115(23):6239-49. PubMed ID: 21332235
[TBL] [Abstract][Full Text] [Related]
3. Valence-band electronic structure of iron phthalocyanine: an experimental and theoretical photoelectron spectroscopy study.
Brena B; Puglia C; de Simone M; Coreno M; Tarafder K; Feyer V; Banerjee R; Göthelid E; Sanyal B; Oppeneer PM; Eriksson O
J Chem Phys; 2011 Feb; 134(7):074312. PubMed ID: 21341849
[TBL] [Abstract][Full Text] [Related]
4. Imaging momentum orbital densities of conformationally versatile molecules: a benchmark theoretical study of the molecular and electronic structures of dimethoxymethane.
Huang YR; Knippenberg S; Hajgató B; François JP; Deng JK; Deleuze MS
J Phys Chem A; 2007 Jul; 111(26):5879-97. PubMed ID: 17566995
[TBL] [Abstract][Full Text] [Related]
5. 1,2-Dibromoethyl-trichlorosilane (CH2BrCHBrSiCl3): conformational structure and vibrational properties by gas-phase electron diffraction, infrared and Raman spectroscopy, and ab initio molecular orbital and density functional theory calculations.
Johansen TH; Hassler K; Richardson AD; Tekautz G; Hagen K
Spectrochim Acta A Mol Biomol Spectrosc; 2005 May; 61(7):1307-19. PubMed ID: 15820864
[TBL] [Abstract][Full Text] [Related]
6. Conformational structure of gaseous 3-chloropropanoyl chloride by electron diffraction, normal coordinate analysis, and ab initio molecular orbital, and density functional theory calculations.
Johansen TH; Hagen K
J Phys Chem A; 2006 Sep; 110(38):11136-44. PubMed ID: 16986848
[TBL] [Abstract][Full Text] [Related]
7. Conformational stability from variable temperature infrared spectra of krypton solutions, ab initio calculations, vibrational assignment, and r0 structural parameters of 1,3-difluoropropane.
Durig JR; Zheng C; Williams MJ; Stidham HD; Guirgis GA
Spectrochim Acta A Mol Biomol Spectrosc; 2004 Jun; 60(7):1659-76. PubMed ID: 15147712
[TBL] [Abstract][Full Text] [Related]
8. Electron propagator theory study of N-/O-methylglycine conformers.
Tian SX
J Chem Phys; 2005 Dec; 123(24):244310. PubMed ID: 16396540
[TBL] [Abstract][Full Text] [Related]
9. Conformational stability of cyclobutanol from temperature dependent infrared spectra of xenon solutions, r0 structural parameters, ab initio calculations and vibrational assignment.
Durig JR; Ganguly A; El Defrawy AM; Gounev TK; Guirgis GA
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec; 71(4):1379-89. PubMed ID: 18602334
[TBL] [Abstract][Full Text] [Related]
10. Electronic structures of acyl nitrites and nitrates.
Zeng X; Yao L; Wang W; Liu F; Sun Q; Ge M; Sun Z; Zhang J; Wang D
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Jul; 64(4):949-55. PubMed ID: 16434229
[TBL] [Abstract][Full Text] [Related]
11. Theoretical and experimental study of valence photoelectron spectrum of D,L-alanine amino acid.
Farrokhpour H; Fathi F; De Brito AN
J Phys Chem A; 2012 Jul; 116(26):7004-15. PubMed ID: 22720731
[TBL] [Abstract][Full Text] [Related]
12. Understanding glycine conformation through molecular orbitals.
Falzon CT; Wang F
J Chem Phys; 2005 Dec; 123(21):214307. PubMed ID: 16356048
[TBL] [Abstract][Full Text] [Related]
13. Electron affinities and electronic structures of o-, m-, and p-hydroxyphenoxyl radicals: a combined low-temperature photoelectron spectroscopic and Ab initio calculation study.
Wang XB; Fu Q; Yang J
J Phys Chem A; 2010 Sep; 114(34):9083-9. PubMed ID: 20669925
[TBL] [Abstract][Full Text] [Related]
14. Study of the photoelectron and electron momentum spectra of cyclopentene using benchmark Dyson orbital theories.
Huang YR; Ning CG; Deng JK; Deleuze MS
Phys Chem Chem Phys; 2008 May; 10(17):2374-89. PubMed ID: 18414729
[TBL] [Abstract][Full Text] [Related]
15. Photoionization of epichlorohydrin enantiomers and clusters studied with circularly polarized vacuum ultraviolet radiation.
Daly S; Powis I; Garcia GA; Soldi-Lose H; Nahon L
J Chem Phys; 2011 Feb; 134(6):064306. PubMed ID: 21322679
[TBL] [Abstract][Full Text] [Related]
16. Experimental and theoretical electron momentum spectroscopic study of the valence electronic structure of tetrahydrofuran under pseudorotation.
Ning CG; Huang YR; Zhang SF; Deng JK; Liu K; Luo ZH; Wang F
J Phys Chem A; 2008 Nov; 112(44):11078-87. PubMed ID: 18842033
[TBL] [Abstract][Full Text] [Related]
17. Conformational stability, structural parameters and vibrational assignment from variable temperature infrared spectra of krypton solutions and ab initio calculations of ethylisothiocyanate.
Durig JR; Zheng C
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):783-95. PubMed ID: 17433767
[TBL] [Abstract][Full Text] [Related]
18. Theoretical and experimental study of valence-shell ionization spectra of guanine.
Zaytseva IL; Trofimov AB; Schirmer J; Plekan O; Feyer V; Richter R; Coreno M; Prince KC
J Phys Chem A; 2009 Dec; 113(52):15142-9. PubMed ID: 20028182
[TBL] [Abstract][Full Text] [Related]
19. Electron momentum spectroscopy study on valence electronic structures of ethylamine.
Yan M; Shan X; Wu F; Xia X; Wang K; Xu K; Chen X
J Phys Chem A; 2009 Jan; 113(2):507-12. PubMed ID: 19093860
[TBL] [Abstract][Full Text] [Related]
20. Conformational stability from temperature-dependent fourier transform infrared spectra of noble gas solutions, r0 structural parameters, and barriers to internal rotation for ethylamine.
Durig JR; Zheng C; Gounev TK; Herrebout WA; van der Veken BJ
J Phys Chem A; 2006 May; 110(17):5674-84. PubMed ID: 16640362
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
