21 results on '"da Silva, João Bosco P."'
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2. Thiosemicarbazones as Aedes aegypti larvicidal
3. A theoretical study of the vibrational spectrum of maleimide
4. A theoretical study of the hydrogen bonding between the vic-, cis- and trans-C2H2F2 isomers and hydrogen fluoride
5. Theoretical calculations of the molecular properties of maleimide and its dimer
6. Influence of the F–H⋯N hydrogen bond on the C–H isolated stretching in aromatic azines
7. Vibrational spectrum modifications of the hydrogen fluoride due to complexation with aromatic azines. An ab initio study
8. A theoretical study of hydrogen complexes of the XH-π type between propyne and HF, HCL or HCN
9. An ab initio study of the electronic and vibrational properties of pyrazine⋯HX and XH⋯pyrazine⋯HX hydrogen-bonded complexes (X=F, NC, Cl, CN and CCH)
10. Configurational and conformational analysis of some fully substituted imidazolidinic compounds: a theoretical study
11. Green's function matrix elements and charge transfer on the CnNH…CnNH and CnNH…NCnH (n=1 and 3) hydrogen bonded complexes
12. An application of chemometric techniques to analyze the effects of wave function modifications on the binding energies of hydrogen-bonded complexes
13. Synthesis and analgesic profile of novel N-containing heterocycle derivatives: arylidene 3-phenyl-1,2,4-oxadiazole-5-carbohydrazide
14. Vibrational intensities and directions of the dipolar derivatives of the trans- C2H2X2 (X F or Cl)
15. An application of chemometric techniques to the study of ab initio rotational constants of linear molecules
16. Effects of wave function modifications on calculated CF and CCl vibrational frequencies and infrared intensities of the dihaloethylenes
17. Effects of wave function modifications on calculated CH vibrational frequencies and infrared intensities of the dihaloethylenes
18. Molecular structures, relative stabilities and electric dipole moments of HC7N, C7NH and HC7−xNCx(x = 1 − 6): an ab initio investigation
19. Vibrational spectra and structure of the cis and trans conformers of methyl nitrite: an ab initio MO study
20. An ab initio study of hydrogen complexes of the X-H … π type between acetylene and HF or HCl
21. An ab initio investigation of HC4NC and C5NH: two candidate molecules for interstellar detection
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