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Spectrochimica Acta. Part A-Molecular and Biomolecular Spectroscopy

Resumen/Descripción – provisto por la editorial en inglés
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is a well-established platform for scientific exchange among molecular spectroscopists. The journal aims to publish papers dealing with novel experimental and/or theoretical aspects of molecular and biomolecular spectroscopy. The focus is on fundamental papers that advance the understanding of molecular and biomolecular structure, function, dynamics and interaction with the help of molecular spectroscopy. This includes innovations on the technical side of molecular spectroscopy and on new theoretical approaches for the quantitative calculation and modeling of spectra, as well as highly innovative biomedical spectroscopic techniques with possible applications. From the broad range of spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on the coupling of electron or nuclear magnetic moments.

The journal particularly welcomes manuscripts dealing with:
• Fundamental aspects of bioanalytical, biomedical, environmental, and atmospheric measurements
• Novel experimental techniques of molecular spectroscopy (such as surface spectroscopy, non-linear optics, hole-burning spectroscopy, single-molecule studies with new insights, spectroscopy beyond diffraction limit, etc.)
• Novel theoretical aspects (such as ab-initio theory, modelling of vibrational spectra, etc.)
• Novel applications in chemistry and photochemistry (such as reaction mechanisms, characterization of intermediates, and ultrafast dynamics, etc.)
• Methodic advances in chemometric studies based on electronic or vibrational spectroscopy

Criteria for publication in SAA are topicality, novelty, uniqueness, and outstanding quality. Manuscripts describing routine use or minor extensions or modifications of established and/or published methodologies (e.g. standard absorption, emission or scattering measurements; standard chemometry; FRET) are not appropriate for the journal. In addition, manuscripts describing analytical procedures that use established spectroscopic techniques, such as the quantitative determination of pharmaceutical compounds with optical techniques or the characterization of compounds with optical techniques in the course of a chemical or biochemical synthesis, will not be accepted for publication, even if they appear new or improved with respect to procedures previously used.
Palabras clave – provistas por la editorial

No disponibles.

Disponibilidad
Institución detectada Período Navegá Descargá Solicitá
No detectada desde ene. 1995 / hasta dic. 2023 ScienceDirect

Información

Tipo de recurso:

revistas

ISSN impreso

1386-1425

ISSN electrónico

1873-3557

Editor responsable

Elsevier

País de edición

Países Bajos

Fecha de publicación

Cobertura temática

fisica

Ciencias físicas

Tabla de contenidos

doi: 10.1016/0584-8539(94)00196-i

Solvatochromic shifts of non-dipolar molecules in polar solvents

N. Ghoneim; P. Suppan

Pp. 1043-1050

doi: 10.1016/s1386-1425(02)00105-1

Spectroscopic and theoretical studies of derivatives of 1,6- and 1,7-naphthyridines

Marisa Santo; Liliana Giacomelli; Rosa Cattana; Juana Silber; Mercedes M Blanco; Celia B Schapira; Isabel A Perillo

Palabras clave: Spectroscopy; Instrumentation; Atomic and Molecular Physics, and Optics; Analytical Chemistry.

Pp. 1399-1407

doi: 10.1016/j.saa.2009.12.046

About the multiple linear regressions applied in studying the solvatochromic effects

Dana-Ortansa Dorohoi

Pp. 1030.e1-1030.e5

doi: 10.1016/j.saa.2011.08.054

Vibrational and electronic investigations, thermodynamic parameters, HOMO and LUMO analysis on crotonaldehyde by ab initio and DFT methods

A. Jayaprakash; V. Arjunan; Sujin P. Jose; S. Mohan

Pp. 411-419

doi: 10.1016/j.saa.2012.03.055

Synthesis of trimethoprim metal complexes: Spectral, electrochemical, thermal, DNA-binding and surface morphology studies

Nihat Demirezen; Derya Tarınç; Duygu Polat; Mustafa Çeşme; Ayşegül Gölcü; Mehmet Tümer

Palabras clave: Spectroscopy; Instrumentation; Atomic and Molecular Physics, and Optics; Analytical Chemistry.

Pp. 243-255

doi: 10.1016/j.saa.2013.01.090

Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods

T. Rajamani; S. Muthu; M. Karabacak

Palabras clave: Instrumentation; Analytical Chemistry; Spectroscopy; Atomic and Molecular Physics, and Optics.

Pp. 186-196

doi: 10.1016/j.saa.2014.02.191

UV–Vis spectroscopic study and DFT calculation on the solvent effect of trimethoprim in neat solvents and aqueous mixtures

M.C. Almandoz; M.I. Sancho; P.R. Duchowicz; S.E. Blanco

Palabras clave: Spectroscopy; Instrumentation; Atomic and Molecular Physics, and Optics; Analytical Chemistry.

Pp. 52-60

doi: 10.1016/j.saa.2014.12.096

Novel spectrophotometric methods for simultaneous determination of Amlodipine, Valsartan and Hydrochlorothiazide in their ternary mixture

Hayam M. Lotfy; Maha A. Hegazy; Shereen Mowaka; Ekram Hany Mohamed

Palabras clave: Instrumentation; Analytical Chemistry; Spectroscopy; Atomic and Molecular Physics, and Optics.

Pp. 495-508

doi: 10.1016/j.saa.2015.03.027

Spectroscopic investigation (FTIR spectrum), NBO, HOMO–LUMO energies, NLO and thermodynamic properties of 8-Methyl-N-vanillyl-6-nonenamideby DFT methods

J. Sherin Percy Prema Leela; R. Hemamalini; S. Muthu; Abdulaziz A. Al-Saadi

Pp. 177-186

doi: 10.1016/j.saa.2015.04.115

Study of chemical bonding, physical and biological effect of metformin drug as an organized medicine for diabetes patients with chromium(III) and vanadium(IV) ions

Abdel Majid A. Adam; T. Sharshar; Mahmoud A. Mohamed; Omar B. Ibrahim; Moamen S. Refat

Palabras clave: Spectroscopy; Instrumentation; Atomic and Molecular Physics, and Optics; Analytical Chemistry.

Pp. 323-332