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Employing general fit-bases for construction of potential energy surfaces with an adaptive density-guided approach
Emil Lund Klinting, Bo Thomsen, Ian Heide Godtliebsen and Ove Christiansen The Journal of Chemical Physics 148(6) (2018) https://doi.org/10.1063/1.5016259
Enhanced conductivity and stability of composite membranes based on poly (2,5-benzimidazole) and zirconium oxide nanoparticles for fuel cells
Vibrational spectra, X‐ray and molecular structure of 1H‐ and 3H‐imidazo[4,5‐b]pyridine and their methyl derivatives: DFT quantum chemical calculations
J. Lorenc, L. Dymińska, Z. Talik, J. Hanuza, M. Mączka, A. Waśkowska and L. Macalik Journal of Raman Spectroscopy 39(1) 1 (2008) https://doi.org/10.1002/jrs.1758
The Photochemical Rearrangement Pathways of Imidazoles: A Theoretical Study
Protonation of Sulfonated Poly(4,4′‐diphenylether‐1,3,4‐oxadiazole) Membranes
Jerusa Roeder, Dominique Gomes, Mariela L. Ponce, Volker Abetz and Suzana P. Nunes Macromolecular Chemistry and Physics 208(5) 467 (2007) https://doi.org/10.1002/macp.200600515
Stereo-structural and IR-spectral characterization of histidine containing dipeptides by means of solid-state IR-LD spectroscopy and ab initio calculations
Ab Initio Density Functional Theory Calculations and Vibrational Analysis of Zinc-Bound 4-Methylimidazole as a Model of a Histidine Ligand in Metalloenzymes
Koji Hasegawa, Taka-aki Ono and Takumi Noguchi The Journal of Physical Chemistry A 106(14) 3377 (2002) https://doi.org/10.1021/jp012251f
Vibrational spectroscopic investigations of M(Imidazole)2Ni(CN)4·2C6H12 clathrates
Vibrational Spectra and Ab Initio DFT Calculations of 4-Methylimidazole and Its Different Protonation Forms: Infrared and Raman Markers of the Protonation State of a Histidine Side Chain
Koji Hasegawa, Taka-aki Ono and Takumi Noguchi The Journal of Physical Chemistry B 104(17) 4253 (2000) https://doi.org/10.1021/jp000157d
Vibrational spectroscopy of triazoles and tetrazole
Hydrogen Bonding Interaction between the Primary Quinone Acceptor QA and a Histidine Side Chain in Photosystem II As Revealed by Fourier Transform Infrared Spectroscopy
Structure of a Histidine Ligand in the Photosynthetic Oxygen-Evolving Complex As Studied by Light-Induced Fourier Transform Infrared Difference Spectroscopy
Structural Characterization of 4-Cyanoimidazolium-5-olate, 4,4-Diphenyl-5-imidazolinone, and 4,5-Dicyanoimidazole. A Novel Mesoionic Compound and Decoding of Intermolecular Hydrogen Bonds
Ermanno Barni, Riccardo Bianchi, Giuliana Gervasio, Arnold T. Peters and Guido Viscardi The Journal of Organic Chemistry 62(20) 7037 (1997) https://doi.org/10.1021/jo9621480
Matrix-Isolation FTIR Studies and Theoretical Calculations of Hydrogen-Bonded Complexes of Imidazole. A Comparison between Experimental Results and Different Calculation Methods
Marlies K. Van Bael, Johan Smets, Kristien Schoone, et al. The Journal of Physical Chemistry A 101(13) 2397 (1997) https://doi.org/10.1021/jp963711l
Bidentate Chelating and Bridging Biimidazole Ligands in Complexes of 2,2′-Biimidazole and N,N'-Dimethyl-2,2′-biimidazole with SnX4(X = Cl, Br, I)
P. AlvarezBoo, M. D. Couce, E. Freijanes, et al. Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry 26(1) 93 (1996) https://doi.org/10.1080/00945719608004248
Comparison between Real-Time Polarization Modulation and Static Linear Polarization for in Situ Infrared Spectroscopy at Electrode Surfaces
William N. Richmond, Peter W. Faguy, Richard S. Jackson and Stephen C. Weibel Analytical Chemistry 68(4) 621 (1996) https://doi.org/10.1021/ac950918m
Quantum chemical studies of the pyrrole-water and pyridine-water complexes
Calculation of normal vibrations and intra- and intermolecular force constants in crystalline imidazole
L. Colombo, P. Bleckmann, B. Schrader, R. Schneider and Th. Plesser The Journal of Chemical Physics 61(8) 3270 (1974) https://doi.org/10.1063/1.1682487
ESR and ENDOR studies of the main radical created by gamma irradiation at 300 °K in the imidazole crystal
Fréquence, anharmonicité, et intensité de la bande de vibration de valence v0–1(NH) dans quelques composés cycliques (triazoles-1,2,4, imidazoles et H-4,5 oxadiazolines-1,2,4)
Influence of temperature on the infrared spectra of adenine, imidazole, and their N-methyl derivatives in the crystalline state
Yu. D. Kanaskova, B. I. Sukhorukov, Yu. A. Pentin and G. V. Komarovskaya Bulletin of the Academy of Sciences of the USSR Division of Chemical Science 19(8) 1637 (1970) https://doi.org/10.1007/BF00996496
Infrared and Raman studies of heterocyclic compounds—II Infrared spectra and normal vibrations of benzimidazole and bis-(benzimidazolato)-metal complexes
Infrared studies of deoxyribonucleic acids, their constituents and analogues III. Evidence of slow isotopic exchange of hydrogen attached to carbon in DNA