Catálogo de publicaciones - revistas
Journal of Molecular Modeling
Resumen/Descripción – provisto por la editorial en inglés
The Journal of Molecular Modeling focuses on ""hardcore"" modeling, publishing high-quality research and reports. Founded in 1995 as a purely electronic journal, it has adapted its format to include a full-color print edition, and adjusted its aims and scope fit the fast-changing field of molecular modeling, with a particular focus on three-dimensional modeling.Today, the journal covers all aspects of molecular modeling including life science modeling; materials modeling; new methods; and computational chemistry.
Palabras clave – provistas por la editorial
No disponibles.
Disponibilidad
| Institución detectada | Período | Navegá | Descargá | Solicitá |
|---|---|---|---|---|
| No detectada | desde ene. 1997 / hasta dic. 2023 | SpringerLink |
Información
Tipo de recurso:
revistas
ISSN impreso
1610-2940
ISSN electrónico
0948-5023
Editor responsable
Springer Nature
País de edición
Alemania
Fecha de publicación
1995-
Tabla de contenidos
Dielectric and conformal studies of 1-propanol and 1-butanol in methanol
Baliram Lone; Vinjanmpaty Madhurima
Palabras clave: Computational Theory and Mathematics; Inorganic Chemistry; Organic Chemistry; Physical and Theoretical Chemistry; Computer Science Applications; Catalysis.
Pp. 709-719
Z-Isomers of (4α→6″, 2α→O→1″)-phenylflavan substituted with R′=R=OH. Conformational properties, electronic structure and aqueous solvent effects
Erika N. Bentz; Alicia B. Pomilio; Rosana M. Lobayan
Palabras clave: Physical and Theoretical Chemistry; Inorganic Chemistry; Organic Chemistry; Computational Theory and Mathematics; Catalysis; Computer Science Applications.
Pp. No disponible
Investigating the mechanism of the selective hydrogenation reaction of cinnamaldehyde catalyzed by Ptn clusters
Laicai Li; Wei Wang; Xiaolan Wang; Lin Zhang
Pp. No disponible
Evolution of the hydrogen-bonding motif in the melamine–cyanuric acid co-crystal: a topological study
Andre N. Petelski; Nelida M. Peruchena; Gladis L. Sosa
Pp. No disponible
Conformational and reactivity study of dithiophenyl-fucosyl ketals with theoretical chemical methods
Angel E. Bañuelos-Hernandez; Hugo A. García-Gutiérrez; Mabel Fragoso-Serrano; José Alberto Mendoza-Espinoza
Pp. No disponible
Ab initio investigation of electric and magnetic dipole electronic transitions in the complex of oxygen with benzene
R. R. Valiev; B. F. Minaev
Pp. No disponible
Coordination complexes of 4-methylimidazole with ZnII and CuII in gas phase and in water: a DFT study
Malek Boukallaba; Boutheïna Kerkeni; Christine Lepetit; Dorothée Berthomieu
Pp. No disponible
When does a functional correctly describe both the structure and the energy of the transition state?
Neil Qiang Su; Pascal Pernot; Xin Xu; Andreas Savin
Palabras clave: Physical and Theoretical Chemistry; Inorganic Chemistry; Organic Chemistry; Computational Theory and Mathematics; Catalysis; Computer Science Applications.
Pp. No disponible
A density functional theory investigation of the interaction of the tetraaqua calcium cation with bidentate carbonyl ligands
Daniel Garcez S. Quattrociocchi; Marcos Vinicius Monsores Meuser; Glaucio Braga Ferreira; José Walkimar de M. Carneiro; Stanislav R. Stoyanov; Leonardo Moreira da Costa
Palabras clave: Physical and Theoretical Chemistry; Inorganic Chemistry; Organic Chemistry; Computational Theory and Mathematics; Catalysis; Computer Science Applications.
Pp. No disponible
Probing the influence of carboxyalkyl groups on the molecular flexibility and the charge density of apigenin derivatives
Y. J. Qi; H. N. Lu; Y. M. Zhao; N. Z. Jin
Pp. No disponible