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
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
Conformation analysis of a novel fluorinated chalcone
Paulo S. Carvalho; Jean M. F. Custodio; Wesley F. Vaz; Cassio C. Cirilo; Amanda F. Cidade; Gilberto L. B. Aquino; Dulcinea M. B. Campos; Pedro Cravo; Clarimar J. Coelho; Solemar S. Oliveira; Ademir J. Camargo; Hamilton B. Napolitano
Palabras clave: Physical and Theoretical Chemistry; Inorganic Chemistry; Organic Chemistry; Computational Theory and Mathematics; Catalysis; Computer Science Applications.
Pp. No disponible
The role of weak interactions in lignin polymerization
Ángel Sánchez-González; Francisco J. Martín-Martínez; J. A. Dobado
Palabras clave: Physical and Theoretical Chemistry; Inorganic Chemistry; Organic Chemistry; Computational Theory and Mathematics; Catalysis; Computer Science Applications.
Pp. No disponible
DFT study of isomers of the ruthenium dihydride complex RuH2(CO)2(AsMe2Ph)2
R. Ben Said; K. Essalah; M. A. K. Sanhoury; K. Hussein; S. Boughdiri; H. Chermette
Pp. No disponible
Quantum-chemical, NMR, FT IR, and ESI MS studies of complexes of colchicine with Zn(II)
Wojciech Jankowski; Joanna Kurek; Piotr Barczyński; Marcin Hoffmann
Pp. No disponible
Polarization, donor–acceptor interactions, and covalent contributions in weak interactions: a clarification
Timothy Clark
Pp. No disponible
Spin states of Mn(III) meso-tetraphenylporphyrin chloride assessed by density functional methods
Higo de Lima Bezerra Cavalcanti; Gerd Bruno Rocha
Palabras clave: DFT; Mn porphyrins; Metalloporphyrins; Spin state.
Pp. 363
The influence of solvent on conformational properties of peptides with Aib residue—a DFT study
Roksana Wałęsa; Małgorzata A. Broda
Pp. No disponible
Conformational analysis of macrocyclic frankincense (Boswellia) diterpenoids
William N. Setzer
Palabras clave: Physical and Theoretical Chemistry; Inorganic Chemistry; Organic Chemistry; Computational Theory and Mathematics; Catalysis; Computer Science Applications.
Pp. No disponible
Methanol, ethanol, propanol, and butanol adsorption on H-ZSM-5 zeolite: an ONIOM study
Rogério J. Costa; Elton A. S. Castro; José R. S. Politi; Ricardo Gargano; João B. L. Martins
Palabras clave: Physical and Theoretical Chemistry; Inorganic Chemistry; Organic Chemistry; Computational Theory and Mathematics; Catalysis; Computer Science Applications.
Pp. No disponible