Correction to “Hydration-Shell Vibrational Spectroscopy”
نویسندگان
چکیده
منابع مشابه
Isotopic hydration of cellobiose: vibrational spectroscopy and dynamical simulations.
The conformation and structural dynamics of cellobiose, one of the fundamental building blocks in nature, its C4' epimer, lactose, and their microhydrated complexes, isolated in the gas phase, have been explored through a combination of experiment and theory. Their structures at low temperature have been determined through double resonance, IR-UV vibrational spectroscopy conducted under molecul...
متن کاملModeling of the hydration shell of Adenine
The molecular geometry of complex of adenine with 8 water molecules was calculated with Hartree-Fock (HF). The standard 6-31G(d) basis set has been employed. The existence of C-H…O Hydrogen bonds between the water molecules and the hydrophobic part of nucleobase is stablished. We optimized structures and computed interaction energies of all complexes of adenine with water molecules step by step...
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Electronic and vibrational gas phase spectra of 1-methylthymine (1MT) and 1-methyluracil (1MU) and their clusters with water are presented. Mass selective IR/UV double resonance spectra confirm the formation of pyrimidine-water clusters and are compared to calculated vibrational spectra obtained from ab initio calculations. In contrast to Y. He, C. Wu, W. Kong; J. Phys. Chem. A, 2004, 108, 94 w...
متن کاملCorrection to “Probing the Phosphopantetheine Arm Conformations of Acyl Carrier Proteins Using Vibrational Spectroscopy”
■ REFERENCES (1) Corrected ref 2: Nguyen, C.; Haushalter, R. W.; Lee, D. J.; Markwick, P. R. L.; Bruegger, J.; Caldara-Festin, G.; Finzel, K.; Jackson, D. R.; Ishikawa, F.; O’Dowd, B.; McCammon, J. A.; Opella, S. J.; Tsai, S.-C.; Burkart, M. D. Nature 2014, 505, 427. (2) Corrected ref 3: Masoudi, A.; Raetz, C. R. H.; Zhou, P.; Pemble, C. W., IV. Nature 2014, 505, 422. (3) Corrected ref 4: Dutta...
متن کاملmodeling of the hydration shell of adenine
the molecular geometry of complex of adenine with 8 water molecules was calculated with hartree-fock (hf). the standard 6-31g(d) basis set has been employed. the existence of c-h…o hydrogen bonds between the water molecules and the hydrophobic part of nucleobase is stablished. we optimized structures and computed interaction energies of all complexes of adenine with water molecules step by step...
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ژورنال
عنوان ژورنال: Journal of the American Chemical Society
سال: 2019
ISSN: 0002-7863,1520-5126
DOI: 10.1021/jacs.9b09111