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Items: 1 to 20 of 166

1.

First-principles study on core-level spectroscopy of arginine in gas and solid phases.

Li H, Hua W, Lin Z, Luo Y.

J Phys Chem B. 2012 Oct 25;116(42):12641-50. doi: 10.1021/jp302309u. Epub 2012 Oct 11.

PMID:
23016930
2.

Photoemission and photoabsorption spectroscopy of glycyl-glycine in the gas phase.

Feyer V, Plekan O, Richter R, Coreno M, Prince KC, Carravetta V.

J Phys Chem A. 2009 Oct 8;113(40):10726-33. doi: 10.1021/jp906843j.

PMID:
19757775
3.

Electronic structure of aromatic amino acids studied by soft x-ray spectroscopy.

Zhang W, Carravetta V, Plekan O, Feyer V, Richter R, Coreno M, Prince KC.

J Chem Phys. 2009 Jul 21;131(3):035103. doi: 10.1063/1.3168393.

PMID:
19624235
4.
5.

pH dependence of the electronic structure of glycine.

Messer BM, Cappa CD, Smith JD, Wilson KR, Gilles MK, Cohen RC, Saykally RJ.

J Phys Chem B. 2005 Mar 24;109(11):5375-82.

PMID:
16863204
6.

A theoretical study of the XP and NEXAFS spectra of alanine: gas phase molecule, crystal, and adsorbate at the ZnO(10 ̅10) surface.

Gao YK, Traeger F, Kotsis K, Staemmler V.

Phys Chem Chem Phys. 2011 Jun 14;13(22):10709-18. doi: 10.1039/c0cp02295k. Epub 2011 May 5.

PMID:
21544306
7.

Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene.

Fronzoni G, Baseggio O, Stener M, Hua W, Tian G, Luo Y, Apicella B, Alfé M, de Simone M, Kivimäki A, Coreno M.

J Chem Phys. 2014 Jul 28;141(4):044313. doi: 10.1063/1.4891221.

PMID:
25084916
8.

Near-edge X-ray absorption mass spectrometry of a gas-phase peptide.

González-Magaña O, Reitsma G, Tiemens M, Boschman L, Hoekstra R, Schlathölter T.

J Phys Chem A. 2012 Nov 8;116(44):10745-51. doi: 10.1021/jp307527b. Epub 2012 Oct 24.

PMID:
23061512
9.

Solid-state and gas-phase structures of two conformers of N-(4-methylphenyl)-N',N''-bis(morpholinyl) phosphoric triamide; insights from X-ray crystallography and DFT calculations.

Gholivand K, Mahzouni HR.

Acta Crystallogr B. 2011 Jun;67(Pt 3):238-43. doi: 10.1107/S0108768111010470. Epub 2011 Apr 13.

PMID:
21586831
10.

Incisive probing of intermolecular interactions in molecular crystals: core level spectroscopy combined with density functional theory.

Stevens JS, Seabourne CR, Jaye C, Fischer DA, Scott AJ, Schroeder SL.

J Phys Chem B. 2014 Oct 23;118(42):12121-9. doi: 10.1021/jp506983s. Epub 2014 Oct 14.

PMID:
25248405
11.

Bonding and charge transfer in nitrogen-donor uranyl complexes: insights from NEXAFS spectra.

Pemmaraju CD, Copping R, Wang S, Janousch M, Teat SJ, Tyliszcak T, Canning A, Shuh DK, Prendergast D.

Inorg Chem. 2014 Nov 3;53(21):11415-25. doi: 10.1021/ic501107a. Epub 2014 Oct 20.

PMID:
25330350
12.

Hydrogen bonding in acetone clusters probed by near-edge x-ray absorption fine structure spectroscopy in the carbon and oxygen K-edge regions.

Tamenori Y, Takahashi O, Yamashita K, Yamaguchi T, Okada K, Tabayashi K, Gejo T, Honma K.

J Chem Phys. 2009 Nov 7;131(17):174311. doi: 10.1063/1.3257962.

PMID:
19895016
13.

The C 1s and N 1s near edge x-ray absorption fine structure spectra of five azabenzenes in the gas phase.

Vall-llosera G, Gao B, Kivimäki A, Coreno M, Alvarez Ruiz J, de Simone M, Agren H, Rachlew E.

J Chem Phys. 2008 Jan 28;128(4):044316. doi: 10.1063/1.2822985. Erratum in: J Chem Phys. 2008 Apr 7;128(13):139901.

PMID:
18247958
14.
15.

Theoretical and experimental sulfur K-edge X-ray absorption spectroscopic study of cysteine, cystine, homocysteine, penicillamine, methionine and methionine sulfoxide.

Risberg ED, Jalilehvand F, Leung BO, Pettersson LG, Sandström M.

Dalton Trans. 2009 May 14;(18):3542-58. doi: 10.1039/b819257j. Epub 2009 Mar 10.

PMID:
19381417
16.

Self-assembled carbon nanotubes on gold: polarization-modulated infrared reflection-absorption spectroscopy, high-resolution X-ray photoemission spectroscopy, and near-edge X-ray absorption fine structure spectroscopy study.

Kocharova N, Leiro J, Lukkari J, Heinonen M, Skala T, Sutara F, Skoda M, Vondracek M.

Langmuir. 2008 Apr 1;24(7):3235-43. doi: 10.1021/la7030768. Epub 2008 Feb 19.

PMID:
18281998
17.

Self-metalation of 2H-tetraphenylporphyrin on Cu(111): an x-ray spectroscopy study.

Diller K, Klappenberger F, Marschall M, Hermann K, Nefedov A, Wöll Ch, Barth JV.

J Chem Phys. 2012 Jan 7;136(1):014705. doi: 10.1063/1.3674165.

PMID:
22239798
18.

NH+-F hydrogen bonding in a fluorinated "proton sponge" derivative: integration of solution, solid-state, gas-phase, and computational studies.

Scerba MT, Leavitt CM, Diener ME, DeBlase AF, Guasco TL, Siegler MA, Bair N, Johnson MA, Lectka T.

J Org Chem. 2011 Oct 7;76(19):7975-84. doi: 10.1021/jo2015328. Epub 2011 Sep 2.

PMID:
21888333
19.

Sulfur 1s near-edge x-ray absorption fine structure (NEXAFS) of thiol and thioether compounds.

Beyhan S, Hu Y, Urquhart SG.

J Chem Phys. 2011 Jun 28;134(24):244304. doi: 10.1063/1.3602218.

PMID:
21721627
20.

X-ray spectroscopy of heterocyclic biochemicals: xanthine, hypoxanthine, and caffeine.

Plekan O, Feyer V, Richter R, Moise A, Coreno M, Prince KC, Zaytseva IL, Moskovskaya TE, Soshnikov DY, Trofimov AB.

J Phys Chem A. 2012 Jun 14;116(23):5653-64. doi: 10.1021/jp300459p. Epub 2012 Jun 4.

PMID:
22620864
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