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CrystEngComm, ISSN 1466-8033, 8/2017, Volume 19, Issue 32, pp. 4666 - 4695
Metal-organic frameworks (MOFs) or coordination polymers (CPs), a class of compounds constructed often by self-assembly of inorganic metal ions and organic... 
SINGLE-CRYSTAL TRANSFORMATION | DIFFERENT HELICAL UNITS | STRUCTURAL TRANSFORMATIONS | CONFORMATIONAL ISOMERISM | CRYSTALLOGRAPHY | HENRY REACTION | SPONTANEOUS RESOLUTION | MAGNETIC-PROPERTIES | COORDINATION POLYMERS | TOPOLOGICAL ISOMERISM | CHEMISTRY, MULTIDISCIPLINARY | SECONDARY BUILDING UNITS
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 01/2020, Volume 26, Issue 1, pp. 285 - 305
In this work, earlier studies reporting α‐H2CO3 are revised. The cryo‐technique pioneered by Hage, Hallbrucker, and Mayer (HHM) is adapted to supposedly... 
dimerization | carbonic acids | conformational isomerism | isotopic labeling | carbonic acid hemiesters
Journal Article
Chirality, ISSN 0899-0042, 1989
Journal
COORDINATION CHEMISTRY REVIEWS, ISSN 0010-8545, 03/2017, Volume 335, pp. 103 - 149
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 03/2014, Volume 20, Issue 12, pp. 3394 - 3407
Of the numerous ways in which two adenine and two guanines (N9 positions blocked in each) can be cross‐linked by three linear metal moieties such as... 
platinum | conformational change | guanine | DFT calculations | adenine | metallacycles | Ammonia | Purines | Hydrogen | Ligands
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 12/2003, Volume 125, Issue 52, pp. 16188 - 16189
The high-energy conformer of acetic acid (cis-AA) is produced in an Ar matrix by vibrational excitation of the OH stretching overtone of the ground... 
FORMIC-ACID | SITE | MONOMERS | SPECTRA | CHEMISTRY, MULTIDISCIPLINARY | AB-INITIO | Acetic Acid - chemistry | Kinetics | Models, Chemical | Spectroscopy, Fourier Transform Infrared | Isomerism | Molecular Conformation | Research | Acetic acid | Structure | Conformational analysis
Journal Article
Beilstein Journal of Organic Chemistry, ISSN 1860-5397, 03/2016, Volume 12, Issue 1, pp. 589 - 593
Proline (Pro) is an outstanding amino acid in various biochemical and physicochemical perspectives, especially when considering the cis-trans isomerism of the... 
Cis-trans isomerism | Proline | Amino acids | Fluorine | cis-trans isomerism | PEPTIDE-BOND ISOMERIZATION | ANALOGS | amino acids | COLLAGEN TRIPLE-HELIX | PSEUDOPROLINES | CHEMISTRY, ORGANIC | L-3,4-DEHYDROPROLINE | proline | PROLYL HYDROXYLASE-ACTIVITY | RING | PREFERENCES | pK(a) | MAGNETIC-RESONANCE | CONFORMATIONAL STABILITY | fluorine | cis–trans isomerism | pKa
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 08/2012, Volume 8, Issue 8, pp. 2630 - 2645
The performance of different wave-function-based and density functional theory (DFT) methods was evaluated with respect to the prediction of relative energies... 
ATOM FORCE-FIELD | SEMIEMPIRICAL METHODS | ALPHA-D-GLUCOPYRANOSE | INTERACTION ENERGIES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | BASIS-SETS | ADAPTED PERTURBATION-THEORY | NONCOVALENT INTERACTIONS | CONFORMATIONAL-ANALYSIS | DENSITY-FUNCTIONAL THEORY | GENERALIZED GRADIENT APPROXIMATION
Journal Article
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, 09/2012, Volume 95, pp. 664 - 669
► Isomerism and tautomerism are investigated. ► Isomerism is evaluated from thermochemical point of view. ► Tautomerism is investigated depending on... 
Schiff base | DFT | Intramolecular hydrogen bond | Isomerism | IR and UV–Vis spectroscopies | Conformational analysis | IR and UV-Vis spectroscopies | SPECTROSCOPY | MOLECULAR-STRUCTURE | SCHIFF-BASES | STATE | INTRAMOLECULAR PROTON-TRANSFER | TAUTOMERISM
Journal Article
Organic Letters, ISSN 1523-7060, 11/2004, Volume 6, Issue 23, pp. 4167 - 4170
Translational isomerization can be induced by changing the anions associated with a bistable rotaxane in which the tetracationic cyclophane (blue box),... 
BENZYLIC AMIDE | RECOGNITION | TETRATHIAFULVALENE UNIT | MOLECULAR SHUTTLES | CHEMISTRY, ORGANIC | REDOX | TRISPHAT | CONFORMATIONAL ISOMERISM | NANOSCALE | ROTAXANES | SOLVATION | Molecular Structure | Rotaxanes - chemistry | Magnetic Resonance Spectroscopy | Isomerism
Journal Article
Journal of Molecular Structure, ISSN 0022-2860, 06/2013, Volume 1042, pp. 112 - 117
-(PyH)[MoCl (Py) ] was found to crystallize in two polymorphic forms, denoted as and . It was shown by X-ray structure analysis that each of the two forms... 
Conformational isomerism | Crystal structures | Molybdenum(III) complexes | Pyridine complexes | Polymorphism | OXIDATION | MOLECULAR-STRUCTURE | PYRIDINE | COMPLEXES | REACTIVITY | CHEMISTRY, PHYSICAL | CRYSTAL-STRUCTURES | SOLID-STATE | TUNGSTATE(III) | DATABASE | CHEMISTRY
Journal Article
Journal of Molecular Structure, ISSN 0022-2860, 2006, Volume 795, Issue 1, pp. 143 - 154
The rotational spectrum of 1-heptanal has been recorded over the 10–22 GHz region using a pulsed-molecular-beam, Fourier transform microwave spectrometer. The... 
Conformational isomerism | Ab initio | Fourier transform microwave spectroscopy | ab initio | AB-INITIO CALCULATIONS | JET-COOLED FTMW | CHEMISTRY, PHYSICAL | conformational isomerism | ROTATIONAL SPECTRA | CONFORMERS | DIPOLE-MOMENTS | Diastereomers | Analysis
Journal Article
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, 02/2013, Volume 103, pp. 84 - 89
► equilibrium of two 2-acetylfurans is fully described. ► Infrared data showed these equilibria were sensitive to solvent polarity. ► Theoretical calculations... 
Infrared spectroscopy | NMR spectroscopy | Theoretical calculations | S-cis–trans isomerism | Conformational analysis | Furan derivatives | S-cis-trans isomerism | SPECTROSCOPY | NUCLEAR-MAGNETIC-RESONANCE | THIOPHENE | CONFORMATIONS | ACETYL | Nuclear magnetic resonance spectroscopy | Furans | Thiophene | Analysis
Journal Article
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, 01/2015, Volume 135, pp. 1099 - 1106
A combined matrix isolation FTIR and theoretical DFT/B3LYP/6–311++G(2p,2d) study of pyridoxal was performed. The calculations resulted in five stable PL... 
Matrix isolation | Conformational isomerism | Pyridoxal | Infrared spectra | DFT calculations | 3-HYDROXYPYRIDINE DERIVATIVES | INTRAMOLECULAR HYDROGEN-BOND | ABSORPTION SPECTRA | ANALOGS | AB-INITIO CALCULATIONS | FT-IR | VIBRATIONAL-SPECTRA | PHOSPHATE | SPECTROSCOPY | SCHIFF-BASES | SOLUTION EQUILIBRIA | Diastereomers
Journal Article
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