65 results on '"Kaur, Damanjit"'
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2. Modeling the protein-nucleic acid base interactions through hydrogen-bonded complexes of N-heterocyclic analogs of Indene with amino acid side-chain mimics
3. Probing non-covalent interactions of phosphine and arsine derivatives: an energy decomposition analysis using localized molecular orbitals
4. Exploring the Role of Consecutive Addition of Nitrogen Atoms on Stability and Reactivity of Hydrogen-Bonded Azine–Water Complexes
5. Unprecedented synthesis of symmetrical azines from alcohols and hydrazine hydrate using nickel based NNN-pincer catalyst: An experimental and computational study
6. Bio-mimetic self-assembled computationally designed catalysts of Mo and W for hydrogenation of CO2/dehydrogenation of HCOOH inspired by the active site of formate dehydrogenase
7. Mechanism of atom economical conversion of alcohols and amines to amides using Fe(ii) pincer catalyst. An outer-sphere metal–ligand pathway or an inner-sphere elimination pathway?
8. Essential Hypertension-A Review
9. Elucidating the intermolecular hydrogen bonding interaction of proline with amides—quantum chemical calculations
10. Nature and Hierarchy of Hydrogen-Bonding Interactions in Binary Complexes of Azoles with Water and Hydrogen Peroxide
11. Quantum chemical study of hydrogen-bonded complexes of serine with water and $$\hbox {H}_{2}\hbox {O}_{2}$$ H 2 O 2
12. Modeling protein-protein interactions through alanine-amide hydrogen bonds
13. Hydrogen bonded complexes of oxazole family: electronic structure, stability, and reactivity aspects
14. Comparison of hydrogen- and halogen-bonding interactions in the complexes of the substituted carbonyl compounds with hypohalous acids and monohaloamines
15. Can THF hydrogen bond to glycine as strong as water?
16. The theoretical-cum-statistical approach for the investigation of reaction NO2+ O(3P) → NO + O2 using SCTST and a full anharmonic VPT2 model
17. The role of torsional motion on the properties of propiolic acid and its H/D isotopic analogs: A density functional study using SCTST and a full anharmonic VPT2 model
18. Effects of substituents and charge on the RCHO⋯X–Y {X = Cl, Br, I; Y = –CF3, –CF2H, –CFH2, –CN, –CCH, –CCCN; R = –OH, –OCH3, –NH2, –O−} halogen-bonded complexes
19. Theoretical Characterization of Hydrogen Bonding Interactions between RCHO (R = H, CN, CF3, OCH3, NH2) and HOR′(R′ = H, Cl, CH3, NH2, C(O)H, C6H5)
20. Trends Towards Multi-Radio and Multi-Channel based Wireless Mesh Networks
21. Substituent effect on N–H bond dissociation enthalpies of carbamates: a theoretical study
22. Hydrogen bonding of formamide, urea, urea monoxide and their thio-analogs with water and homodimers
23. Theoretical study on O⋯Br and O⋯Cl halogen bonds in some small model molecular systems
24. The saturated five-membered heterocyclic molecules as organic hydride donors: a computational study
25. Theoretical study on the nature of S···H and O ··· H hydrogen bonds
26. Insight into the acidic behavior of oxazolidin-2-one, its thione and selone analogs through computational techniques
27. Impacts of medium, substituents, and specific interactions with water on hydration of carbonyl compounds
28. Hydrogen bonding of formo- and thioformohydroxamic acid with methanethiol and methaneselenol as amino acid side chain groups
29. Quantum chemical investigation on the influence of amino substitution on proton affinity of oxazolidin-2-one
30. A computational investigation into the nature of hydrogen bonds involving divalent sulfur
31. The explicit interactions of five-membered saturated heterocyclics containing one and two heteroatoms with single water molecule
32. Hydrogen bonding ability and acid–base behavior of formylphosphinous acid: an isostere of formohydroxamic acid
33. Factors affecting relative stabilities and proton affinities of oxazolidinone and its N,C5-formyl derivatives
34. Theoretical study on the hydrogen bonding of five-membered heteroaromatics with water
35. 2-(p-Nitrophenylthioureido)-3-aminonaphtho-1,4-quinone as a water tolerant F− anion probe
36. Understanding hydrogen bonding of hydroxamic acids with some amino acid side chain model molecules
37. Hydrogen bond cooperativity in dimers of hydroxamic acids
38. The hydrogen bond donor and acceptor ability of thioformic acid
39. Intermolecular hydrogen bonding interactions of furan, isoxazole and oxazole with water
40. The role of conjugative interactions in acidic and basic character of five membered aromatic heterocyclics
41. Importance of selenium in antioxidant behavior of ebselen: A theoretical study
42. Correlation between proton affinity and conjugation effects in carbamic acid and its higher chalcogenide analogs
43. The role of isomerism and medium effects on stability of anions of formo- and thioformohydroxamic acid
44. Superimposed molecular keypad lock and half-subtractor implications in a single fluorophore
45. Substituent effect on NH bond dissociation enthalpies of amines and amides: A theoretical study
46. A comparative study on hydrogen bonding ability of thioformohydroxamic acid and formohydroxamic acid
47. Interactions of some peptides with sodium acetate and magnesium acetate in aqueous solutions at 298.15 K: A volumetric approach
48. Intra and intermolecular hydrogen bonding in formohydroxamic acid
49. Understanding selenocysteine through conformational analysis, proton affinities, acidities and bond dissociation energies
50. A comparative study on the nature and strength of O–O, S–S, and Se–Se bond
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