[PDF] Top 20 A Study of Hydrogen Bonding
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A Study of Hydrogen Bonding
... List Illustrations of Figure to follow Title page I Preparation II Block diagram R-20 III Trifluoroacetic IV Chemical of Shift Quinazoline 37 43 acid 45 spectrum Concentration Tetrachlor[r] ... See full document
107
FTIR study of hydrogen bonding between acyclic ester with monohydric alcohols
... molecular hydrogen bonding is expected. From this study, one may conclude that the proton donating ability of alcohols and the proton accepting ability of acyclic ester vary linearly with the ... See full document
7
← Return to Article Details THEORETICAL STUDY ON THE HYDROGEN BONDING INTERACTIONS IN PARACETAMOL-WATER COMPLEXES
... this study will be helpful to the further study on the solvent effects of ...of hydrogen bond (H–bond) because it is usually ...to study the hydrogen bonding interactions in PA–H ... See full document
7
A Theoretical and Experimental Study on Hydrogen-bonding Interactions between 4H-1,2,4-triazole-3,5-diamine and DMSO/water
... imental study section, Fourier Transform Infrared Spectroscopy was selected to reveal the hydrogen- bonding interactions from an experimental view- ... See full document
12
Isomerism and Hydrogen Bonding in the Cis-enol Forms of 1-(n-pyridyl)butane-1,3-diones: A Theoretical Study
... In all nPBD isomers, according to AIM and geometrical parameters results, as illustrated in Fig. 8, the intramolecular hydrogen bond strength show a discrepancy. According to Fig. 8, the IHB energies well ... See full document
15
A multinuclear solid state NMR, density functional theory and X Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates
... intermolecular bonding between carboxylic groups; these have been confirmed by work on the relevant crystal struc- ...The hydrogen dibenzoate (HD) system has the potential to form H bonds between the ... See full document
18
IR study on hydrogen bonding in epoxy resin–silica nanocomposites
... To understand the role of silica in this process, a com- parison of spectra of silica and composite with silica was performed (see Fig. 3) and it was found that the absorption band of hydroxyl group (SiAOH) decreases ... See full document
5
Quantum Chemical Studies on hydrogen bonding interaction of Pyrimidine and Water
... present study using by second order Moller-Plesset (MP2) and density functional theory (DFT) on the basis set ...and hydrogen binding energies for various structures have been ...estimated. Hydrogen ... See full document
5
Hydrogen bonding patterns in bis(trimethoprim) dipicolinate pentahydrate
... pyrimidine, TMP] is a well known antifolate drug. It selec- tively inhibits the bacterial dihydrofolate reductase (DHFR) enzyme. The present study was undertaken to explore the hydrogen-bonding ... See full document
14
Hydrogen bonding in creatininium nitrate
... present study, only the imino group of the imidazolyl moiety (atom N1) in creatinine is protonated, which con®rms the possibility of the existence of creatinine and creatininium cations in various tautomeric forms ... See full document
7
Role of Hydrogen Transfer and Ionic Bonding on RR, SS and RS Medetomidine Conglomerates/Acids Stability: A Theoretical Study
... bonding (HB) were investigated by employing QTAIM theory [21] and all the relevant descriptors were calculated at BCPs and RCPs that are listed in Table 3. The critical points and bond paths of hydrogen ... See full document
10
Crystal Structure Determination and Hydrogen Bonding Patterns in 2 Pyridinecarboxamide
... In our study, the pyridine ring is essentially planar, with maximum deviations of 0.010 in C4 and –0.010 in N2 (Figure 2). The dihedral angle formed between the pyridine ring and the amide plane is 18.26(9)˚. This ... See full document
5
THEORETICAL STUDIES ON INCLUSION COMPLEXES OF CYCLODEXTRINS AND HYDROGEN BONDING
... Figure 1: Divinyl monomers (a) Ethylene glycol dimethacrylate (b) Ethylene glycol methacrylate 4-vinyl benzoate are used in the present study and their inclusion complexes with β-CD obtained from molecular ... See full document
15
The Effects of Hydrogen Bonding on the Reactivity of Synthetic Ada Repair Protein Analogues
... metalloproteins. 35,36 Rather than work with a bulky metalloprotein, synthetic analogues are complexes that mimic the primary (and sometimes secondary) coordination sphere present in the active site of the ... See full document
110
Supramolecular Self‐Sorting Networks using Hydrogen‐Bonding Motifs
... the different arrays of donors and acceptors (e.g., DADA, DDAA) presented by different accessible tautomers/conformers of each motif. The use of diamidonaphthyridine (DAN) 3, urei- doimidazole (UIM) 5 and ... See full document
11
Hydrogen bonding in the crystal structure of the molecular salt of pyrazole–pyrazolium picrate
... Research interest on co-crystals or organic complex salts in recent years has been prompted by their potential utilization in the pharmaceutical industry (Blagden et al., 2014; Duggirala et al., 2016). Imidazole and ... See full document
8
pH Responsive Hydrogen Bonding Motif to Improve the Sensitivity of Tumor Imaging
... primary hydrogen bond strength is affected by the acidity of the donor and basicity of the ...multiple hydrogen bonding complex, we can determine the strength and stability based on the expecting the ... See full document
83
Conventional and Unconventional Intramolecular Hydrogen Bonding in some Beta-diketones
... present study, were performed at different levels using Gaussian 09 software package and AIM 2000 software ...at hydrogen bond critical points according to Bader’s atoms in molecules (AIM) theory [40] at ... See full document
12
Redetermination of Ag2[TeO2(OH)4]: a revised hydrogen bonding scheme
... original study the OH groups were assigned to atoms O1 and O3, the present study reveals O2 and O3 as the OH ...strong hydrogen bonds between OH groups of one [TeO 2 (OH) 4 ] octahedron and the O ... See full document
6
Hydrogen bonding patterns in trimethoprim tetrafluoroborate
... pyrimidine or TMP] is a well known antifolate drug. It is a potent inhibitor of bacterial dihydrofolate reductase (DHFR) but is less effective against human DHFR. The drug (TMP) in its N1-protonated form inhibits DHFR. ... See full document
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