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.
143 related articles for article (PubMed ID: 27214642)
1. An Empirical IR Frequency Map for Ester C═O Stretching Vibrations. Edington SC; Flanagan JC; Baiz CR J Phys Chem A; 2016 Jun; 120(22):3888-96. PubMed ID: 27214642 [TBL] [Abstract][Full Text] [Related]
2. Modeling Vibrational Spectra of Ester Carbonyl Stretch in Water and DMSO Based on Molecular Dynamics Simulation. Fang B; Wang T; Chen X; Jin T; Zhang R; Zhuang W J Phys Chem B; 2015 Sep; 119(38):12390-6. PubMed ID: 26335032 [TBL] [Abstract][Full Text] [Related]
3. Measuring electrostatic fields in both hydrogen-bonding and non-hydrogen-bonding environments using carbonyl vibrational probes. Fried SD; Bagchi S; Boxer SG J Am Chem Soc; 2013 Jul; 135(30):11181-92. PubMed ID: 23808481 [TBL] [Abstract][Full Text] [Related]
4. Electrostatic influence of QA reduction on the IR vibrational mode of the 10a-ester C==O of HA demonstrated by mutations at residues Glu L104 and Trp L100 in reaction centers from Rhodobacter sphaeroides. Breton J; Nabedryk E; Allen JP; Williams JC Biochemistry; 1997 Apr; 36(15):4515-25. PubMed ID: 9109660 [TBL] [Abstract][Full Text] [Related]
6. Amide I vibrational dynamics of N-methylacetamide in polar solvents: the role of electrostatic interactions. DeCamp MF; DeFlores L; McCracken JM; Tokmakoff A; Kwac K; Cho M J Phys Chem B; 2005 Jun; 109(21):11016-26. PubMed ID: 16852342 [TBL] [Abstract][Full Text] [Related]
7. Study of the solvent effects on the molecular structure and CO stretching vibrations of flurbiprofen. Tekin N; Pir H; Sagdinc S Spectrochim Acta A Mol Biomol Spectrosc; 2012 Dec; 98():122-31. PubMed ID: 22986052 [TBL] [Abstract][Full Text] [Related]
8. Electrostatic frequency shifts in amide I vibrational spectra: direct parameterization against experiment. Reppert M; Tokmakoff A J Chem Phys; 2013 Apr; 138(13):134116. PubMed ID: 23574217 [TBL] [Abstract][Full Text] [Related]
9. Combined IR/NIR and density functional theory calculations analysis of the solvent effects on frequencies and intensities of the fundamental and overtones of the C ═ O stretching vibrations of acetone and 2-hexanone. Chen Y; Morisawa Y; Futami Y; Czarnecki MA; Wang HS; Ozaki Y J Phys Chem A; 2014 Apr; 118(14):2576-83. PubMed ID: 24654701 [TBL] [Abstract][Full Text] [Related]
10. Vibrational spectroscopic (FTIR and FT Raman) studies, first order hyperpolarizabilities and HOMO, LUMO analysis of p-toluenesulfonyl isocyanate using ab initio HF and DFT methods. Parimala K; Balachandran V Spectrochim Acta A Mol Biomol Spectrosc; 2011 Oct; 81(1):711-23. PubMed ID: 21795105 [TBL] [Abstract][Full Text] [Related]
11. 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]
12. FT-IR spectroscopy and DFT calculation study on the solvent effects of benzaldehyde in organic solvents. Li Y; Zhang H; Liu Q Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():51-5. PubMed ID: 22051410 [TBL] [Abstract][Full Text] [Related]
13. Synthesis, vibrational, NMR, quantum chemical and structure-activity relation studies of 2-hydroxy-4-methoxyacetophenone. Arjunan V; Devi L; Subbalakshmi R; Rani T; Mohan S Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():164-77. PubMed ID: 24792193 [TBL] [Abstract][Full Text] [Related]
14. Conformational stability, spectroscopic (FT-IR & FT-Raman), HOMO-LUMO, NBO and thermodynamic function of 4-(trifloromethoxy) phenol. Balachandran V; Murugan M; Karpagam V; Karnan M; Ilango G Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():367-75. PubMed ID: 24810022 [TBL] [Abstract][Full Text] [Related]
16. FT-IR, FT-Raman, ab initio and DFT structural, vibrational frequency and HOMO-LUMO analysis of 1-naphthaleneacetic acid methyl ester. Nagabalasubramanian PB; Karabacak M; Periandy S Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):169-80. PubMed ID: 21820351 [TBL] [Abstract][Full Text] [Related]
17. Ester carbonyl vibration as a sensitive probe of protein local electric field. Pazos IM; Ghosh A; Tucker MJ; Gai F Angew Chem Int Ed Engl; 2014 Jun; 53(24):6080-4. PubMed ID: 24788907 [TBL] [Abstract][Full Text] [Related]
18. Density functional theory (DFT) and natural bond orbital (NBO) study of vibrational spectra and intramolecular hydrogen bond interaction of L-ornithine-L-aspartate. Li L; Wu C; Wang Z; Zhao L; Li Z; Sun C; Sun T Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():338-46. PubMed ID: 25448937 [TBL] [Abstract][Full Text] [Related]
19. Collective solvent coordinates for the infrared spectrum of HOD in D2O based on an ab initio electrostatic map. Hayashi T; la Cour Jansen T; Zhuang W; Mukamel S J Phys Chem A; 2005 Jan; 109(1):64-82. PubMed ID: 16839090 [TBL] [Abstract][Full Text] [Related]
20. Hydrogen-bonding in enzyme catalysis. Fourier-transform infrared detection of ground-state electronic strain in acyl-chymotrypsins and analysis of the kinetic consequences. White AJ; Wharton CW Biochem J; 1990 Sep; 270(3):627-37. PubMed ID: 2241898 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]