Molecular Spectroscopy and Molecular Structure: Commemorative Issue in Honor of Professor Austin J. Barnes on Occasion of his 75th Birthday

This Special Issue of Molecules is dedicated to Prof. Austin James Barnes by occasion of his 75th birthday, in acknowledgment of his scientific contributions in the fields of molecular spectroscopy and molecular structure. The Special Issue comprises 12 articles that span a broad range of interests...

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Опубліковано: MDPI - Multidisciplinary Digital Publishing Institute 2024
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NMR
DFT
Онлайн доступ:ONIX_20240906_9783725818525_68
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collection Directory of Open Access Books
description This Special Issue of Molecules is dedicated to Prof. Austin James Barnes by occasion of his 75th birthday, in acknowledgment of his scientific contributions in the fields of molecular spectroscopy and molecular structure. The Special Issue comprises 12 articles that span a broad range of interests within the fields of molecular spectroscopy and molecular structure, such as hydrogen bonding, intermolecular interactions, chemical reactivity, weakly bound species and applied spectroscopy.Prof. Austin J. Barnes was one of the most influential scientists in his domain of specialization, and his long scientific career has been an example to follow.
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institution Directory of Open Access Books
language eng
publishDate 2024
publishDateRange 2024
publishDateSort 2024
publisher MDPI - Multidisciplinary Digital Publishing Institute
publisherStr MDPI - Multidisciplinary Digital Publishing Institute
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spelling doab-20.500.12854ir-1437062024-09-06T08:08:15Z Molecular Spectroscopy and Molecular Structure: Commemorative Issue in Honor of Professor Austin J. Barnes on Occasion of his 75th Birthday Fausto, Rui Turrell, Sylvia Ildiz, Gulce Ogruc ortho chloro- and fluoro- substituted benzoic acids structural aspects conformational landscape crystal features quantum chemical calculations isolated-molecule infrared spectroscopy photochemistry ab initio sulphur dioxide ozone dimers complexes structures vibrational spectra NaYF4:Er,Yb upconversion emission surface modification hydrophilic screen printing 2-cyclopenten-1-ol π-type intramolecular hydrogen bonding infrared spectroscopy conformations potential energy surface theoretical calculations carbonyls hydroxylamine hydrogen bond matrix isolation vibrational spectroscopy computational chemistry ciprofloxacin–biguanide bismuth complex metallo-organic compound structure characterization spectroscopic study FTIR NMR pyrimidine-5-carbonitriles dihydrofolate reductase crystal structure DFT Hirshfeld surface analysis attention deficit and hyperactivity disorder (ADHD) FTIR spectroscopy chemometrics PLS-DA carbanion monosubstituted 4-tolyl-1,2,4-triazol-1-ium phenacylids solvatochromism hydroxylic solutions interaction energy in molecular pairs ylid-water and ylid-alcohol proton conductors X-ray crystallography IR and Raman spectroscopy DSC/TGA analysis impedance spectroscopy hydrogen bond network QTAiM analysis cyanide hydrogen bonding non-covalent interactions dissociation scalar coupling GIAO van der Waals interaction Matrix isolation thema EDItEUR::P Mathematics and Science thema EDItEUR::P Mathematics and Science::PN Chemistry thema EDItEUR::P Mathematics and Science::PN Chemistry::PNR Physical chemistry This Special Issue of Molecules is dedicated to Prof. Austin James Barnes by occasion of his 75th birthday, in acknowledgment of his scientific contributions in the fields of molecular spectroscopy and molecular structure. The Special Issue comprises 12 articles that span a broad range of interests within the fields of molecular spectroscopy and molecular structure, such as hydrogen bonding, intermolecular interactions, chemical reactivity, weakly bound species and applied spectroscopy.Prof. Austin J. Barnes was one of the most influential scientists in his domain of specialization, and his long scientific career has been an example to follow. 2024-09-06T08:08:11Z 2024-09-06T08:08:11Z 2024 book ONIX_20240906_9783725818525_68 9783725818525 9783725818518 https://directory.doabooks.org/handle/20.500.12854/143706 eng application/octet-stream Attribution-NonCommercial-NoDerivatives 4.0 International https://mdpi.com/books/pdfview/book/9729 https://mdpi.com/books/pdfview/book/9729 MDPI - Multidisciplinary Digital Publishing Institute 10.3390/books978-3-7258-1851-8 10.3390/books978-3-7258-1851-8 46cabcaa-dd94-4bfe-87b4-55023c1b36d0 9783725818525 9783725818518 226 open access
spellingShingle ortho chloro- and fluoro- substituted benzoic acids
structural aspects
conformational landscape
crystal features
quantum chemical calculations
isolated-molecule infrared spectroscopy
photochemistry
ab initio
sulphur dioxide
ozone
dimers
complexes
structures
vibrational spectra
NaYF4:Er,Yb
upconversion emission
surface modification
hydrophilic
screen printing
2-cyclopenten-1-ol
π-type intramolecular hydrogen bonding
infrared spectroscopy
conformations
potential energy surface
theoretical calculations
carbonyls
hydroxylamine
hydrogen bond
matrix isolation
vibrational spectroscopy
computational chemistry
ciprofloxacin–biguanide bismuth complex
metallo-organic compound
structure characterization
spectroscopic study
FTIR
NMR
pyrimidine-5-carbonitriles
dihydrofolate reductase
crystal structure
DFT
Hirshfeld surface analysis
attention deficit and hyperactivity disorder (ADHD)
FTIR spectroscopy
chemometrics
PLS-DA
carbanion monosubstituted 4-tolyl-1,2,4-triazol-1-ium phenacylids
solvatochromism
hydroxylic solutions
interaction energy in molecular pairs ylid-water and ylid-alcohol
proton conductors
X-ray crystallography
IR and Raman spectroscopy
DSC/TGA analysis
impedance spectroscopy
hydrogen bond network
QTAiM analysis
cyanide
hydrogen bonding
non-covalent interactions
dissociation
scalar coupling
GIAO
van der Waals interaction
Matrix isolation
thema EDItEUR::P Mathematics and Science
thema EDItEUR::P Mathematics and Science::PN Chemistry
thema EDItEUR::P Mathematics and Science::PN Chemistry::PNR Physical chemistry
Molecular Spectroscopy and Molecular Structure: Commemorative Issue in Honor of Professor Austin J. Barnes on Occasion of his 75th Birthday
title Molecular Spectroscopy and Molecular Structure: Commemorative Issue in Honor of Professor Austin J. Barnes on Occasion of his 75th Birthday
title_full Molecular Spectroscopy and Molecular Structure: Commemorative Issue in Honor of Professor Austin J. Barnes on Occasion of his 75th Birthday
title_fullStr Molecular Spectroscopy and Molecular Structure: Commemorative Issue in Honor of Professor Austin J. Barnes on Occasion of his 75th Birthday
title_full_unstemmed Molecular Spectroscopy and Molecular Structure: Commemorative Issue in Honor of Professor Austin J. Barnes on Occasion of his 75th Birthday
title_short Molecular Spectroscopy and Molecular Structure: Commemorative Issue in Honor of Professor Austin J. Barnes on Occasion of his 75th Birthday
title_sort molecular spectroscopy and molecular structure commemorative issue in honor of professor austin j barnes on occasion of his 75th birthday
topic ortho chloro- and fluoro- substituted benzoic acids
structural aspects
conformational landscape
crystal features
quantum chemical calculations
isolated-molecule infrared spectroscopy
photochemistry
ab initio
sulphur dioxide
ozone
dimers
complexes
structures
vibrational spectra
NaYF4:Er,Yb
upconversion emission
surface modification
hydrophilic
screen printing
2-cyclopenten-1-ol
π-type intramolecular hydrogen bonding
infrared spectroscopy
conformations
potential energy surface
theoretical calculations
carbonyls
hydroxylamine
hydrogen bond
matrix isolation
vibrational spectroscopy
computational chemistry
ciprofloxacin–biguanide bismuth complex
metallo-organic compound
structure characterization
spectroscopic study
FTIR
NMR
pyrimidine-5-carbonitriles
dihydrofolate reductase
crystal structure
DFT
Hirshfeld surface analysis
attention deficit and hyperactivity disorder (ADHD)
FTIR spectroscopy
chemometrics
PLS-DA
carbanion monosubstituted 4-tolyl-1,2,4-triazol-1-ium phenacylids
solvatochromism
hydroxylic solutions
interaction energy in molecular pairs ylid-water and ylid-alcohol
proton conductors
X-ray crystallography
IR and Raman spectroscopy
DSC/TGA analysis
impedance spectroscopy
hydrogen bond network
QTAiM analysis
cyanide
hydrogen bonding
non-covalent interactions
dissociation
scalar coupling
GIAO
van der Waals interaction
Matrix isolation
thema EDItEUR::P Mathematics and Science
thema EDItEUR::P Mathematics and Science::PN Chemistry
thema EDItEUR::P Mathematics and Science::PN Chemistry::PNR Physical chemistry
topic_facet ortho chloro- and fluoro- substituted benzoic acids
structural aspects
conformational landscape
crystal features
quantum chemical calculations
isolated-molecule infrared spectroscopy
photochemistry
ab initio
sulphur dioxide
ozone
dimers
complexes
structures
vibrational spectra
NaYF4:Er,Yb
upconversion emission
surface modification
hydrophilic
screen printing
2-cyclopenten-1-ol
π-type intramolecular hydrogen bonding
infrared spectroscopy
conformations
potential energy surface
theoretical calculations
carbonyls
hydroxylamine
hydrogen bond
matrix isolation
vibrational spectroscopy
computational chemistry
ciprofloxacin–biguanide bismuth complex
metallo-organic compound
structure characterization
spectroscopic study
FTIR
NMR
pyrimidine-5-carbonitriles
dihydrofolate reductase
crystal structure
DFT
Hirshfeld surface analysis
attention deficit and hyperactivity disorder (ADHD)
FTIR spectroscopy
chemometrics
PLS-DA
carbanion monosubstituted 4-tolyl-1,2,4-triazol-1-ium phenacylids
solvatochromism
hydroxylic solutions
interaction energy in molecular pairs ylid-water and ylid-alcohol
proton conductors
X-ray crystallography
IR and Raman spectroscopy
DSC/TGA analysis
impedance spectroscopy
hydrogen bond network
QTAiM analysis
cyanide
hydrogen bonding
non-covalent interactions
dissociation
scalar coupling
GIAO
van der Waals interaction
Matrix isolation
thema EDItEUR::P Mathematics and Science
thema EDItEUR::P Mathematics and Science::PN Chemistry
thema EDItEUR::P Mathematics and Science::PN Chemistry::PNR Physical chemistry
url ONIX_20240906_9783725818525_68