235 results on '"Bertrán J"'
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2. Proton Transfer in DNA Base Pairs
3. Theoretical Study of Homogeneous Catalysis
4. Theoretical QM/MM studies of enzymatic pericyclic reactions
5. Effects of protonation on proton transfer processes in Watson–Crick adenine–thymine base pair
6. Electrostatic effects in enzyme catalysis: a quantum mechanics/molecular mechanics study of the nucleophilic substitution reaction in haloalkane dehalogenase
7. Effects of protonation on proton-transfer processes in guanine–cytosine Watson–Crick base pairs
8. Complex Formation of Ferric Protoporphyrin IX From the Reaction of Hemin with Ammonia and Small Aliphatic Amines
9. Role of the water of crystallization in the Mössbauer spectra of some low-spin ferric and high-spin ferrous compounds. Its implications in comparative studies
10. Effect of the water of crystallization on the Mössbauer spectra of hexacyanoferrates (II and III)
11. Ab initio electronic analysis of the hydride transfer in the [CH3-H-CH3]+ system
12. Tribochemical reactions of erionite and Na-LTA zeolites with Fe2(SO4)3.5H2O: A mössbauer study
13. Behaviour of Prussian Blue during its interaction with ozone
14. Mössbauer spectroscopic study of Prussian Blue from different provenances
15. Transition-State Structures
16. MHC class II alleles associated with clinical and immunological manifestations of HIV-1 infection among children in Catalonia, Spain
17. Protonation of glycine, serine and cysteine. Conformations, proton affinities and intrinsic basicities
18. On the interactions of potassium bromide with alkali fluorides
19. Postnatal Transmission of HIV Infection
20. Modifications of Potential Energy Surfaces by Solvation and Catalysis
21. Nonequilibrium solvent effects on the SN2 reaction using a self-consistent reaction field continuum model based on multipole expansions.
22. Etude théorique du pK des états excités
23. A Theoretical Study of the Reaction Mechanisms in Some Cyclo-Addition Reactions
24. Resultados preliminares sobre relaciones isotópicas 3H e /4H e en fluidos terrestres de la Peninsula Ibérica : Implicaciones seismotectonicas y neotectonica
25. Preliminary results on 3He/4He isotopic ratios in terrestrial fluids from Iberian peninsula: seismoctectonic and neotectonic implications
26. Note sur L'Influence des Substituants Dans le Mécanisme de la Réaction Diels-Alder
27. Simultaneous bilateral contracture of the infraspinatus muscle
28. Computer-Aided Rational Design of Catalytic Antibodies: The 1F7 Case
29. Computer‐Aided Rational Design of Catalytic Antibodies: The 1F7 Case
30. Reaction of imidazole in gas phase at very low pressure with Cu foil and Cu oxides studied by X‐ray photoelectron spectroscopy
31. Effects of Ionization, Metal Cationization and Protonation on 2‘-Deoxyguanosine: Changes on Sugar Puckering and Stability of the N-Glycosidic Bond
32. Mechanochemical Reaction Between the Probe and the Matrix: A Possible Source of Errors When IR Spectra of Alkali Acid Bifluorides Are Recorded in Alkali Halide Pressed Disks
33. 148IN - Can we Do Better with Our Current Therapies for Nsclc? the Spanish Lung Cancer Group Approach
34. The Different Nature of Bonding in Cu+-Glycine and Cu2+-Glycine
35. Self-Consistent Reaction Field Calculations of Nonequilibrium Solvent Effects on Proton Transfer Processes through Low-Barrier Hydrogen Bonds
36. Proton transfer in the solid state: mechanochemical reactions of fluorides with acidic substances
37. Contribution of Quantum Chemistry to the Study of Dienes and Polyenes
38. A.379 Intra-articular analgesia after knee arthroscopy: a comparative study of three doses of morphine
39. Characterization of the Transition State for the Hydride Transfer in a Model of the Flavoprotein Reductase Class of Enzymes
40. Synthesis and characterization of two complexes of glycine with lanthanum hexacyanoferrate(III) and hexacyanocobaltate(III)
41. The effect of substituents on the deprotonation energy of selected primary, secondary and tertiary alcohols
42. The CN Stretch of Insoluble Metal Nitroprussides as a Sensor of Ligand-Outer Cation Interactions
43. Tribochemical Synthesis and Study of Mixed Potassium-Ferrous Ferrocyanide and its RuII and OsII Analogs
44. Transition state structures in solution
45. On the interactions of ozone with manganous hexacyanoferrates
46. Theoretical study of the regioselectivity in the diels-alder reactions of protoanemonin with substituted dienes
47. Analysis of the hydride transfer in the [CH3-H-CH3]+ system in terms of valence bond structures
48. On the use of diffuse functions for describing dissociative electron transfer reactions
49. MNDO study of the radical addition of hydrogen halides to ethylene and propene
50. Effect of the internal reference on ASIS correlations: 3-Intrinsic ASIS of formyl protons.
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