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.
2. FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-methyluracil (thymine). Singh JS Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():625-40. PubMed ID: 25244296 [TBL] [Abstract][Full Text] [Related]
3. FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-halogenated uracils (5-X-uracils; X=F, Cl, Br, I). Singh JS Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 117():502-18. PubMed ID: 24036044 [TBL] [Abstract][Full Text] [Related]
4. Vibrational Probes: From Small Molecule Solvatochromism Theory and Experiments to Applications in Complex Systems. Błasiak B; Londergan CH; Webb LJ; Cho M Acc Chem Res; 2017 Apr; 50(4):968-976. PubMed ID: 28345879 [TBL] [Abstract][Full Text] [Related]
5. Entropic cost of protein-ligand binding and its dependence on the entropy in solution. Irudayam SJ; Henchman RH J Phys Chem B; 2009 Apr; 113(17):5871-84. PubMed ID: 19351118 [TBL] [Abstract][Full Text] [Related]
6. Conformations of alanine-based peptides in water probed by FTIR, Raman, vibrational circular dichroism, electronic circular dichroism, and NMR spectroscopy. Schweitzer-Stenner R; Measey T; Kakalis L; Jordan F; Pizzanelli S; Forte C; Griebenow K Biochemistry; 2007 Feb; 46(6):1587-96. PubMed ID: 17279623 [TBL] [Abstract][Full Text] [Related]
7. IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-aminouracil. Singh JS Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():313-28. PubMed ID: 24793482 [TBL] [Abstract][Full Text] [Related]
8. Computational vibrational spectroscopy of peptides and proteins in one and two dimensions. Jeon J; Yang S; Choi JH; Cho M Acc Chem Res; 2009 Sep; 42(9):1280-9. PubMed ID: 19456096 [TBL] [Abstract][Full Text] [Related]
9. Maximum entropy approach to the determination of solution conformation of flexible polypeptides by global conformational analysis and NMR spectroscopy--application to DNS1-c-[D-A2,bu2,Trp4,Leu5]enkephalin and DNS1-c-[D-A2bu2,Trp4,D-Leu5]enkephalin. Groth M; Malicka J; Czaplewski C; Ołdziej S; Lankiewicz L; Wiczk W; Liwo A J Biomol NMR; 1999 Dec; 15(4):315-30. PubMed ID: 10685340 [TBL] [Abstract][Full Text] [Related]
11. Structural analysis of bioinspired nano materials with synchrotron far IR spectroscopy. Seoudi RS; Dowd A; Smith BJ; Mechler A Phys Chem Chem Phys; 2016 Apr; 18(16):11467-73. PubMed ID: 27057653 [TBL] [Abstract][Full Text] [Related]
12. Molecules-in-molecules fragment-based method for the calculation of chiroptical spectra of large molecules: Vibrational circular dichroism and Raman optical activity spectra of alanine polypeptides. Jose KV; Raghavachari K Chirality; 2016 Dec; 28(12):755-768. PubMed ID: 27897329 [TBL] [Abstract][Full Text] [Related]
13. FT-IR and FT-Raman spectra of 2-hydroxyethyl methacrylate--A conformational and vibrational analysis. Belaidi O; Adjim M; Bouchaour T; Maschke U Spectrochim Acta A Mol Biomol Spectrosc; 2015 Sep; 148():396-404. PubMed ID: 25919328 [TBL] [Abstract][Full Text] [Related]
14. FTIR and Raman spectra, DFT and normal coordinate computations of 2,4,5- and 2,4,6-tri-fluoroanilines. Mukherjee V; Singh NP; Yadav RA Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul; 73(2):249-56. PubMed ID: 19303353 [TBL] [Abstract][Full Text] [Related]
15. Characterization of folded conformations in a tetrapeptide containing two tryptophan residues by vibrational circular dichroism. Petrovic AG; Polavarapu PL; Mahalakshmi R; Balaram P Chirality; 2009; 21 Suppl 1():E76-85. PubMed ID: 19750497 [TBL] [Abstract][Full Text] [Related]
16. Molecular structure, NBO analysis, electronic absorption and vibrational spectral analysis of 2-Hydroxy-4-Methoxybenzophenone: reassignment of fundamental modes. Joseph L; Sajan D; Chaitanya K; Suthan T; Rajesh NP; Isac J Spectrochim Acta A Mol Biomol Spectrosc; 2014; 120():216-27. PubMed ID: 24184624 [TBL] [Abstract][Full Text] [Related]
17. Determination of conformational preferences of dipeptides using vibrational spectroscopy. Grdadolnik J; Grdadolnik SG; Avbelj F J Phys Chem B; 2008 Mar; 112(9):2712-8. PubMed ID: 18260662 [TBL] [Abstract][Full Text] [Related]
18. Determining the absolute configuration of two marine compounds using vibrational chiroptical spectroscopy. Hopmann KH; Šebestík J; Novotná J; Stensen W; Urbanová M; Svenson J; Svendsen JS; Bouř P; Ruud K J Org Chem; 2012 Jan; 77(2):858-69. PubMed ID: 22148737 [TBL] [Abstract][Full Text] [Related]
19. Infrared, vibrational circular dichroism, and Raman spectral simulations for β-sheet structures with various isotopic labels, interstrand, and stacking arrangements using density functional theory. Welch WR; Kubelka J; Keiderling TA J Phys Chem B; 2013 Sep; 117(36):10343-58. PubMed ID: 23924300 [TBL] [Abstract][Full Text] [Related]
20. Theoretical investigation of the structure and vibrational spectra of carbamoyl azide. Umar Y Spectrochim Acta A Mol Biomol Spectrosc; 2006 Jun; 64(3):568-73. PubMed ID: 16387539 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]