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Journal of Molecular Structure

Resumen/Descripción – provisto por la editorial en inglés
The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including:

• Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.)
• Chemical intermediates
• Molecules in excited states
• Biochemicals
• Polymers.

The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example:

• Infrared spectroscopy (mid, far, near)
• Raman spectroscopy and non-linear Raman methods (CARS, etc.)
• Force constant and molecular mechanics calculations
• Electronic absorption spectroscopy
• Optical rotatory dispersion and circular dichroism
• Fluorescence and phosphorescence techniques
• Electron spectroscopies (PES, XPS), EXAFS, etc.
• Microwave spectroscopy
• Electron diffraction
• NMR and ESR spectroscopies
• Mössbauer spectroscopy
• X-ray crystallography.

Papers describing routine studies of little structural significance (e.g. straightforward X-ray crystal structure determinations) are not encouraged.

Publications combining experimental and theoretical approaches to a problem are particularly welcomed. However, solely theoretical (semiempirical or ab initio) studies should be submitted to Computational and Theoretical Chemistry.
Palabras clave – provistas por la editorial

No disponibles.

Disponibilidad
Institución detectada Período Navegá Descargá Solicitá
No detectada desde oct. 1967 / hasta dic. 2023 ScienceDirect

Información

Tipo de recurso:

revistas

ISSN impreso

0022-2860

ISSN electrónico

1872-8014

Editor responsable

Elsevier

País de edición

Países Bajos

Fecha de publicación

Cobertura temática

biologia

Ciencias biológicas

Tabla de contenidos

doi: 10.1016/0022-2860(78)80012-x

Conformational analysis of o-, m- and p-cresol by molecular orbital calculations

S.A. Kudchadker; R.M. Hedges; B.J. Zwolinski

Pp. 259-265

doi: 10.1016/j.molstruc.2011.04.034

Determination of molecular structure of succinic acid in a very complex conformational landscape: Gas-phase electron diffraction (GED) and ab initio studies

Natalja Vogt; Maxim A. Abaev; Anatolii N. Rykov; Igor F. Shishkov

Palabras clave: Inorganic Chemistry; Organic Chemistry; Analytical Chemistry; Spectroscopy.

Pp. 120-127

doi: 10.1016/j.molstruc.2011.08.051

Rotational isomers, vibrational assignments, HOMO–LUMO, NLO properties and molecular electrostatic potential surface of N-(2 bromoethyl) phthalimide

T. Karthick; V. Balachandran; S. Perumal; A. Nataraj

Palabras clave: Inorganic Chemistry; Organic Chemistry; Spectroscopy; Analytical Chemistry.

Pp. 202-213

doi: 10.1016/j.molstruc.2014.11.004

Silver sulfadoxinate: Synthesis, structural and spectroscopic characterizations, and preliminary antibacterial assays in vitro

Nina T. Zanvettor; Camilla Abbehausen; Wilton R. Lustri; Alexandre Cuin; Norberto Masciocchi; Pedro P. Corbi

Pp. 180-187

doi: 10.1016/j.molstruc.2015.02.014

Synthesis, spectroscopic characterization, antimicrobial activity and crystal structure of [Ag2(C10H10N3O3S)2(C5H5N)3]

Sanjay M. Tailor; Urmila H. Patel

Pp. 161-168

doi: 10.1016/j.molstruc.2015.02.076

Theoretical analysis (NBO, NPA, Mulliken Population Method) and molecular orbital studies (hardness, chemical potential, electrophilicity and Fukui function analysis) of (E)-2-((4-hydroxy-2-methylphenylimino)methyl)-3-methoxyphenol

Zeynep Demircioğlu; Çiğdem Albayrak Kaştaş; Orhan Büyükgüngör

Palabras clave: Inorganic Chemistry; Organic Chemistry; Spectroscopy; Analytical Chemistry.

Pp. 183-195

doi: 10.1016/j.molstruc.2016.03.088

Structural analysis of molybdo-zinc-phosphate glasses: Neutron scattering, FTIR, Raman scattering, MAS NMR studies

C. Renuka; A.B. Shinde; P.S.R. Krishna; C. Narayana Reddy

Palabras clave: Inorganic Chemistry; Organic Chemistry; Analytical Chemistry; Spectroscopy.

Pp. 83-90

doi: 10.1016/j.molstruc.2016.05.012

Molecular structure, hydrogen-bonding patterns and topological analysis (QTAIM and NCI) of 5-methoxy-2-nitroaniline and 5-methoxy-2-nitroaniline with 2-amino-5-nitropyridine (1:1) co-crystal

Javier Hernández-Paredes; Roberto C. Carrillo-Torres; Alonso A. López-Zavala; Rogerio R. Sotelo-Mundo; Ofelia Hernández-Negrete; José Zeferino Ramírez; Mario E. Alvarez-Ramos

Palabras clave: Inorganic Chemistry; Organic Chemistry; Analytical Chemistry; Spectroscopy.

Pp. 505-516

doi: 10.1016/j.molstruc.2017.01.076

Substitution effect on a hydroxylated chalcone: Conformational, topological and theoretical studies

Jean M.F. Custodio; Wesley F. Vaz; Fabiano M. de Andrade; Ademir J. Camargo; Guilherme R. Oliveira; Hamilton B. Napolitano

Palabras clave: Inorganic Chemistry; Organic Chemistry; Analytical Chemistry; Spectroscopy.

Pp. 69-79

doi: 10.1016/j.molstruc.2018.11.010

Syntheses, crystal structures and photo physical aspects of azido-bridged tetranuclear cadmium (II) complexes: DFT/TD-DFT, thermal, antibacterial and anti-biofilm properties

Dhrubajyoti Majumdar; Swapan Dey; S.S. Sreejith; Jayanta Kumar Biswas; Monojit Mondal; Pooja Shukla; Sourav Das; Tapan Pal; Dhiraj Das; Kalipada Bankura; Dipankar Mishra

Palabras clave: Inorganic Chemistry; Organic Chemistry; Spectroscopy; Analytical Chemistry.

Pp. 694-708