Results 11 to 20 of about 247,330 (265)

Bhabha process at LEP — theoretical calculations* [PDF]

open access: yesNuclear Physics B - Proceedings Supplements, 1996
In this contribution we give a short overview of the situation in the precision calculation of the Bhabha process and we present a preliminary numerical result on the second-order sub-leading correction to the small angle Bhabha process.
Jadach, S.   +3 more
openaire   +2 more sources

A class–field theoretical calculation [PDF]

open access: yesJournal de théorie des nombres de Bordeaux, 2008
In this paper, we give the complete characterization of the p –torsion subgroups of certain idèle–class groups associated to characteristic p function fields.
openaire   +1 more source

Mechanochemical Synthesis of the Catechol-Theophylline Cocrystal: Spectroscopic Characterization and Molecular Structure

open access: yesApplied Sciences, 2021
Pharmaceutical cocrystallization offers the possibility to modify the physicochemical and biopharmaceutical properties of active pharmaceutical ingredients.
Juan Saulo González-González   +4 more
doaj   +1 more source

THEORETICAL CALCULATIONS OF AN OSMIUM MOLECULAR SWITCH [PDF]

open access: yesJournal of the Chilean Chemical Society, 2013
ABSTRACT We have investigated the molecular, electronic and optical properties of the [Os(tpy-py) 2 ] 2+ complex (tpy-py = 4’-(4-pyridyl)-2,2’:6’,2’’-terpyridine) and its protonated derivative [Os(tpy-pyH) 2 ] 4+ through Density Functional Relativistic calculations including Scalar and Spin Orbit corrections.
MIRANDA-BARRIENTOS, FERNANDO   +3 more
openaire   +9 more sources

Theoretical Studies on the Tautomerism of 1,5,6,7-Tetrahydro-4H-indazol-4-ones

open access: yesMolecules, 2006
Computational studies on three tautomeric forms of four 1,5,6,7-tetrahydro- 4H-indazol-4-one derivatives: 1,5,6,7-tetrahydro-4H-indazol-4-one (1), 6,6-dimethyl- 1,5,6,7-tetrahydro-4H-indazol-4-one (2), 3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one (3) and
Rosa M. Claramunt   +2 more
doaj   +1 more source

On the π Coordination of Organometallic Fullerene Complexes

open access: yesMolecules, 2011
Novel organometallic complexes of fullerene C80 and aryl ligands were simulated. The nature and characteristics of this family of complexes involving π coordination between the fullerene and a metal centre have been studied from a theoretical point of ...
Bertha Molina   +2 more
doaj   +1 more source

Investigation of the Vibrational Characteristics of 6-Isocyano-1-Methyl-1H-Indole: Utilizing the Isonitrile Group as an Infrared Probe

open access: yesMolecules, 2023
Indole derivatives have garnered considerable attention in the realm of biochemistry due to their multifaceted properties. In this study, we undertake a systematic investigation of the vibrational characteristics of a model indole derivative, 6-isocyano ...
Min You   +4 more
doaj   +1 more source

Sinthetic study of some beta-aminoketones using thiazolidine as catalyst

open access: yesOrbital: The Electronic Journal of Chemistry, 2012
Mannich reaction is one of the most widely used in organic chemistry. In this reaction, there is a insertion of a aminomethyl group on the α position to the carbonyl group.
Érica Cristina da Silva   +4 more
doaj   +1 more source

Mechanosynthesis of Photochromic Oligophenyleneimines: Optical, Electrochemical and Theoretical Studies

open access: yesMolecules, 2019
In this work, two oligophenyleneimines type pentamers with terminal aldehydes, designated as DAFCHO (4,4′-((((((2,5-bis(octyloxy)-1,4-phenylene)bis(methanylylidene))bis(azanyl ylidene))bis(9H-fluorene-7,2-diyl))bis(azanylylidene))bis ...
Miguel Angel Amado-Briseño   +10 more
doaj   +1 more source

Isotope Effects on Chemical Shifts in the Study of Hydrogen Bonds in Small Molecules

open access: yesMolecules, 2022
This review is giving a short introduction to the techniques used to investigate isotope effects on NMR chemical shifts. The review is discussing how isotope effects on chemical shifts can be used to elucidate the importance of either intra- or ...
Poul Erik Hansen
doaj   +1 more source

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