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A theoretical investigation of the structural and eletronic properties of orthorhombic CaZrO3
(2014)
A CaZrO3 (CZO) powder was prepared by the soft chemical, polymeric precursor method (PPM). The CZO crystalline structure was investigated by powder X-ray diffraction (XDR), Retvield Refinament data, Raman spectra and ...
A theoretical and experimental study to unequivocal structural assignment of tetrahydroquinoline derivatives
(2013-06-24)
The tetrahydroquinoline derivatives can be easily synthesized through Povarov reaction and have several important biological activities. This work describes a comparative study for the unequivocal assignment of molecular ...
Basis sets applied to the theoretical study of the vibrational structure of hexaaquaaluminum(III) ion
(Elsevier B.V., 2004-01-23)
Gaussian basis sets were developed with the Generator Coordinate Hartree-Fock (GCHF) method for the atoms from H (14s), O (23s16p), and Al (29sl9p) in the ground state. These basis sets were then contracted to 3s (12,1,1), ...
A theoretical and experimental study to unequivocal structural assignment of tetrahydroquinoline derivatives
(2013-06-24)
The tetrahydroquinoline derivatives can be easily synthesized through Povarov reaction and have several important biological activities. This work describes a comparative study for the unequivocal assignment of molecular ...
The wood for the civil engineering: A proposal of distance education
(2006-12-01)
The majority of the Brazilian schools of Civil Engineering have taught the subject works with wood in the traditional only by disciplines of Metallic Structures and Wood at a topic in the content of the program on disciplines ...
Reactivity, energetics and molecular structure: A theoretical and experimental approach
(Universidad Nacional de Ingeniería, 2019)
Reactivity, energetics and molecular structure: A theoretical and experimental approach
(Universidad Nacional de Ingeniería, 2019)
Experimental and theoretical investigation of molecular structure and conformation of the 4-isopropylthioxanthone
(Elsevier BVAmsterdam, 2011-08)
In this study, the molecular structure and conformational analyses of the 4-isopropylthioxanthone (4-ITX) are reported according to experimental and theoretical results. The compound crystallizes in the centrosymmetric ...