156 results on '"Ilieva, Sonia"'
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2. Hydrogen bonding to graphene surface: A comparative computational study
3. Hydrogen bonding as a probe of electron density Variations: Substituted pyridines
4. Asymmetric Monomethine Cyanine Dyes with Hydrophobic Functionalities for Fluorescent Intercalator Displacement Assay
5. Asymmetric Monomethine Cyanine Dyes with Hydrophobic Functionalities for Fluorescent Intercalator Displacement Assay.
6. Synthesis of Novel 1-Oxo-2,3,4-trisubstituted Tetrahydroisoquinoline Derivatives, Bearing Other Heterocyclic Moieties and Comparative Preliminary Study of Anti-Coronavirus Activity of Selected Compounds
7. E – Z Photoisomerization in Proton-Modulated Photoswitchable Merocyanine Based on Benzothiazolium and o-Hydroxynaphthalene Platform.
8. Synthesis, structural analysis and application of a series of solid-state fluorochromes—aryl hydrazones of 4-hydrazino-N-hexyl-1,8-naphthalimide
9. The nature of intramolecular interactions determining the σ− constants for aromatic systems
10. Initiation of ring-opening polymerization of lactide: The effect of metal alkoxide catalyst
11. Rationalizing IR intensities in terms of electronic parameters
12. Theoretical Modeling of Absorption and Fluorescent Characteristics of Cyanine Dyes
13. Mini-Review on Structure–Reactivity Relationship for Aromatic Molecules: Recent Advances
14. Ca2+/Sr2+ Selectivity in Calcium-Sensing Receptor (CaSR): Implications for Strontium’s Anti-Osteoporosis Effect
15. Computational evaluation of σ I and σ R substituent constants
16. Hydrogen bonding probes electron density variations at the basic center in substituted alkyl benzoates: Theory and experiment
17. QSAR analysis of 1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridines with anticancer activity
18. Computational study of the reactivity of N-phenylacetamides in the alkaline hydrolysis reaction
19. Electrostatic potential at atomic sites as a reactivity descriptor for hydrogen bonding. Complexes of monosubstituted acetylenes and ammonia
20. Theory supplemented by experiment. Electronic effects on the rotational stability of the amide group in p-substituted acetanilides
21. Conformation of some biologically active aromatic ureas
22. Reactivity descriptors for the hydrogen bonding ability of aliphatic alcohols
23. Atomic Charges in Describing Properties of Aromatic Molecules
24. Electric field influence on the helical structure of peptides: insights from DFT/PCM computations
25. How an electric field can modulate the metal ion selectivity of protein binding sites: insights from DFT/PCM calculations
26. Communication: Energetics of reaction pathways for reactions of ethenol with the hydroxyl radical: The importance of internal hydrogen bonding at the transition state.
27. Ab initio molecular orbital study of the conformation of amide group: o-methylformanilide
28. Predicting reactivities of organic molecules: theoretical and experimental studies on the aminolysis of phenyl acetates
29. An efficient computational approach for the evaluation of substituent constants
30. Mechanism of the aminolysis of methyl benzoate: A computational study
31. On the origin of higher rotational barriers in thioamides than in amides. Remote substituent effects on the conformational stability of the thioamide group in thioacetanilides
32. Computational study of the aminolysis of 2-benzoxazolinone
33. Computational study of the aminolysis of esters. The reaction of methylformate with ammonia
34. Assembly of New Merocyanine Chromophores with a 1,8-Naphthalimide Core by a New Method for the Synthesis of the Methine Function
35. Electrostatic Potential at Nuclei
36. Electrostatic Potential at Nuclei
37. Experimental Measurement and Theory of Substituent Effects in π-Hydrogen Bonding: Complexes of Substituted Phenols with Benzene
38. Do π-Conjugative Effects Facilitate SN2 Reactions?
39. ChemInform Abstract: Structure-Reactivity Relationships for Aromatic Molecules: Electrostatic Potentials at Nuclei and Electrophile Affinity Indices
40. Aminolysis of Phenyl N-Phenylcarbamate via an Isocyanate Intermediate: Theory and Experiment
41. Does the Molecular Electrostatic Potential Reflect the Effects of Substituents in Aromatic Systems?
42. Structure-reactivity relationships for aromatic molecules: electrostatic potentials at nuclei and electrophile affinity indices
43. Quantitative Structure-Activity Relationship Analysis of the Substituent Effects on the Binding Affinity of Derivatives of Trimetazidine
44. Reactivity of phenyl N‐phenylcarbamates in the alkaline hydrolysis reaction
45. Experimental and theoretical study on the absorption and fluorescence properties of substituted aryl hydrazones of 1,8-naphthalimide
46. Computational evaluation of σI and σR substituent constants
47. Reactivity of acetanilides in the alkaline hydrolysis reaction: theory vs. experiment
48. The mechanism of alkaline hydrolysis of amides: a comparative computational and experimental study of the hydrolysis of N‐methylacetamide, N‐methylbenzamide, and acetanilide
49. Computational Study of the Reactivity ofN-Phenylacetamides in the Alkaline Hydrolysis Reaction
50. Computational study of the alkaline hydrolysis of acetanilide
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