38 results on '"Pivina, Tatyana S."'
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2. Is everything correct? The formation enthalpy estimation and data revision of nitrate and perchlorate salts
3. The tautomerism of imidazo[4,5-e]benzo[1,2-c,3,4-c] difuroxans: A quantum chemical and experimental study
4. Enthalpies of Formation of Bistetrazole Dioxides in the Question: Computer Simulation for the Answer
5. X-ray study and computational model of the solid solvate of [1,2,5]oxadiazolo[3,4-е][1,2,3,4]tetrazine 4,6-dioxide (FTDO) with benzene and ab initio crystal structure prediction of pure FTDO
6. Quantum-chemical study of the mechanism of aminomethylation of tetrazoles according to the elimination–addition scheme without preliminary formation of N-protonated azolium salts
7. Synthesis of pyridinium ylides and simulation of their 1,3-dipolar cycloaddition mechanism
8. Substituted tetrazoles with N-oxide moiety: critical assessment of thermochemical properties.
9. Thermochemistry and crystal structure predictions of energetic derivatives of formamidine salts
10. Is Everything Correct? The Formation Enthalpies Estimation and Data Revision of Nitrates and Perchlorates Salts
11. Metathesis of Azomethine Imines in Reaction of 6-aryl-1,5-Diazabicyclo[3.1.0]Hexanes with (Het)Arylidenemalononitriles
12. Base-induced transformations of ortho-nitrobenzylketones: intramolecular displacement of nitro group versus nitro-nitrite rearrangement
13. Formation of unsymmetrical 1,4-dithiins from fused 1,2,3,4,5-pentathiepins: synthesis, structural, and computational study
14. New Method for Predicting the Enthalpy of Salt Formation
15. Di‐ and trioxides of triazolotetrazine: Computational prediction of crystal structures and estimation of physicochemical characteristics
16. Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components
17. Calculated enthalpies of formation of 5,5’-bitetrazole salts
18. Nitrodiaziridines: Unattainable yet, but Desired Energetic Materials
19. Structure and complexation energy of benzotrifuroxan–benzene molecular complex
20. Simulation of Ozone and Molecular Oxygen Oxidation of Dinitrogen Tetroxide to Nitric Anhydride
21. Oxidative ability of organic iodine(iii) reagents: a theoretical assessment
22. Time for quartet: the stable 3 : 1 cocrystal formulation of FTDO and BTF – a high-energy-density material
23. Crystal Structure Prediction of Bifurazano[3,4‐b:3′,4′‐f][3′′,4′′‐d](BFFO) in the Experimentally Known Monohydrated and Proposed Anhydrous Forms
24. Computer-aided search for high-density energetic compounds among hydrogen-free heterocycles
25. ChemInform Abstract: Reaction of 1,2-Dialkyldiaziridines and 1,2,3-Trialkyldiaziridines with Methyl Propiolate in Ionic Liquids and in Organic Solvents.
26. ChemInform Abstract: Metathesis of Azomethine Imines in Reaction of 6-Aryl-1,5-diazabicyclo[3.1.0]hexanes with (Het)arylidenemalononitriles.
27. Reaction of 1,2-Dialkyldiaziridines and 1,2,3-Trialkyldiaziridines with Methyl Propiolate in Ionic Liquids and in Organic Solvents
28. Diaminofuroxan: Synthetic Approaches and Computer‐Aided Study of Thermodynamic Stability
29. Differentiation of the molecular structure of nitro compounds as the basis for simulation of their thermal destruction processes
30. Computer Modeling of Probable Decomposition Reactions: Cyclonitramines
31. Computer representation and generation of possible pathways for thermal decomposition reactions of organic compounds
32. Comparative analysis of intramolecular parameters of nitrocompounds: crystalline and gas phases
33. Computer-Assisted Prediction of Novel Target High-Energy Compounds
34. Comparative Characteristic of Energy Content Calculating Methods for the furazan series as an example of energetic materials
35. Computer Generation of Caged Frameworks which can be used as synthons for creating high‐energetic materials
36. Estimation and prediction of the heats of formation for non‐aromatic polynitro compounds on the basis of the QSPR approach
37. Comparative characteristics of some experimental and computational methods for estimating Impact Sensitivity Parameters of Explosives
38. Molecular Screening of High-Energy Nitrocompounds
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