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Lancet, The, ISSN 0140-6736, 2014, Volume 384, Issue 9950, pp. 1273 - 1281
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 2019, Volume 123, Issue 25, pp. 5300 - 5308
Journal Article
Journal of Molecular Spectroscopy, ISSN 0022-2852, 09/2019, Volume 363, p. 111171
When analyzing the experimental vibrational peak position of heavy light XH stretching vibrations of simple molecules, the local mode model has great success.... 
OH stretching vibration | Transition moment | Quantum chemistry | Hydrogen bonding | INTENSITIES | ENERGY | CORRELATED MOLECULAR CALCULATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | OVERTONE SPECTRA | SPECTROSCOPY | SIMPLE ACIDS | LOCAL MODE CALCULATIONS | THEORETICAL-ANALYSIS | GAUSSIAN-BASIS SETS | ELECTRON CORRELATION
Journal Article
Journal of Physics A: Mathematical and Theoretical, ISSN 1751-8113, 03/2017, Volume 50, Issue 16, p. 165301
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 02/2012, Volume 14, Issue 8, pp. 2797 - 2808
Theoretical simulations are performed for the vibrational spectra of selected isomers of OH(-)(H(2)O)(3) and OH(-)(H(2)O)(4) clusters to understand the origin... 
Models, Molecular | Hydrogen Bonding | Hydroxyl Radical - chemistry | Isomerism
Journal Article
Advances in Quantum Chemistry, ISSN 0065-3276, 01/2019, Volume 78, pp. 57 - 81
X-ray absorption spectra (XAS) were calculated for CO, H O, and X H O, X = F, Cl, Br as well as Y H O, Y = Li, Na. Using the Franck–Condon approximation and... 
Ionic hydrogen bonding | X-ray absorption | Vibrational state | APPROXIMATION | DISSOCIATION | SPECTROSCOPY | MOLECULAR-ORBITAL METHODS | K-SHELL EXCITATION | CHEMISTRY, PHYSICAL | CORE-EXCITATION | WATER
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 09/2013, Volume 15, Issue 36, pp. 14973 - 14985
Multidimensional local mode calculations are performed for OH stretching vibrations of the gas phase OH(-)(H2O)2 and OH(-)(H2O)2·Ar clusters in the 1000-4000... 
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2018, Volume 20, Issue 30, pp. 20217 - 20227
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2018, Volume 20, Issue 23, pp. 16247 - 16255
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 11/2010, Volume 12, Issue 42, pp. 13950 - 13961
It is well known that the existence of hydrogen bonds causes the vibrational spectra for the donor OH bond to broaden. Most times this broadening is attributed... 
EXCITED MOLECULES | WATER DIMER | MOLECULAR-ORBITAL METHODS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | VIBRATIONAL-ENERGY RELAXATION | AB-INITIO CALCULATIONS | GAS-PHASE | CHEMISTRY, PHYSICAL | BASIS-SETS | INFRARED-SPECTROSCOPY | BINARY COMPLEXES | ELECTRON-DENSITY
Journal Article
PLoS ONE, ISSN 1932-6203, 06/2015, Volume 10, Issue 6, p. e0130486
In the present study, we examined whether microorganisms collaterally ingested by insects with their food activate the innate immune system to confer systemic... 
PATHWAYS | DROSOPHILA HOST-DEFENSE | PEPTIDOGLYCAN-RECOGNITION | COMMENSAL | ACTIVATION | SPECIFICITY | MULTIDISCIPLINARY SCIENCES | GUT | LARVAE | CYTOKINE | MODEL | Antimicrobial Cationic Peptides - immunology | Pseudomonas aeruginosa - immunology | Hemolymph - cytology | Hemocytes - immunology | Antimicrobial Cationic Peptides - biosynthesis | Insect Proteins - biosynthesis | Hemolymph - microbiology | Larva - immunology | Neuropeptides - biosynthesis | Fat Body - cytology | Larva - genetics | Hemocytes - microbiology | Neuropeptides - genetics | Antimicrobial Cationic Peptides - genetics | Fat Body - microbiology | Adaptive Immunity | Bombyx - immunology | Gene Expression | Hemolymph - immunology | Administration, Oral | Insect Proteins - genetics | Bombyx - genetics | Hot Temperature | Bombyx - microbiology | Pseudomonas aeruginosa - chemistry | Animals | Fat Body - immunology | Lipopolysaccharides - pharmacology | Neuropeptides - immunology | Insect Proteins - immunology | Larva - microbiology | Hemocytes - cytology | Infection | Bacteria | Immune response | RNA | Health aspects | Peptides | Laboratories | Disseminated infection | Infections | mRNA | Lipopolysaccharides | Microorganisms | Antimicrobial peptides | Cecropin | Pseudomonas aeruginosa | Fat body | Pharmaceutical sciences | Immune system | Food | Bacterial infections | Cytokines | Cell walls | Peptidoglycans | Oral administration | Hemolymph | Gene expression | Immunological tolerance | Silkworms | Heat | Insects | Hemocytes
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 01/2013, Volume 15, Issue 1, pp. 114 - 124
We present theoretical calculations on the vibrational spectra between the energy range of 2000-4000 cm(-1) for 4 isoenergetic conformers of gas phase... 
Models, Molecular | Thermodynamics | Argon - chemistry | Hydrogen Bonding | Molecular Conformation | Water - chemistry
Journal Article
Scientific reports, ISSN 2045-2322, 12/2019, Volume 9, Issue 1, pp. 19004 - 1
An amendment to this paper has been published and can be accessed via a link at the top of the paper. 
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 08/2013, Volume 15, Issue 36, pp. 14973 - 14985
Multidimensional local mode calculations are performed for OH stretching vibrations of the gas phase OH super(-)(H sub(2)O) sub(2) and OH super(-)(H sub(2)O)... 
Potential energy | Vibration | Mathematical analysis | Clusters | Joining | Anharmonicity | Dipole moment | Stretching
Journal Article
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