- Basics of NMR
- Chemical Bonds, Molecular Shapes, and Molecular Models
- CLIC Consortium Electronic Journal Project
- Common Molecules Collection
- Glaxo Wellcome
- Journal of Molecular Modelling
- Journal of Molecular Structure: THEOCHEM
- MolBank
- Molecular Modelling Database
- Molecular Modelling for Organic Chemistry
- Molecule of the Month
Comments: bubl@bubl.ac.uk
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- Basics of NMR
- Hypertextbook covering the physics and mathematics behind Nuclear Magnetic Resonance (NMR). Includes chapters on spin physics, spectroscopy and pulse sequences, and provides explanatory graphics which can be viewed alongside the text, a glossary and a list of symbols.
Author: Hornak, Joseph P.
Subjects: molecular modelling, nuclear energy, particle physics, spectroscopy
DeweyClass: 539.7
Resource type: non-fiction ebook
- Chemical Bonds, Molecular Shapes, and Molecular Models
- Tutorial designed to assist students to construct models of molecules using model kits. Includes definitions of molecular shape, electron pair geometry, non-metal bonding patterns, and a self-assessment quiz.
Author: Eastern Oregon University
Subjects: molecular modelling
DeweyClass: 541.22
Resource type: guide
- CLIC Consortium Electronic Journal Project
- The primary objective of the CLIC consortium is to introduce and set standards for new ways of communicating molecular science, to specialists and to a larger, more diverse audience in education and industry. The intention is to enhance the perception, understanding, availablity and quality of scientific knowledge. Subjects covered within the broad area of chemistry are the development of molecular computers, high temperature superconductors, and advances in biotechnology.
Author: CLIC Consortium, Imperial College
Subjects: chemistry research, electronic journal production, molecular modelling, xml
DeweyClass: 540
Resource type: journal
- Common Molecules Collection
- Resource for the study of molecular structure, in which X-ray crystallography and molecular mechanics techniques are used to calculate the structures of "interesting" molecules. The site contains rotatable models of minerals from Anhydrite to Wulfenite and information on amino acids, nucleotides, poisons, vitamins, Boron Hydrides and macromolecules.
Author: Indiana University Molecular Structure Center
Subjects: chemistry research, molecular modelling
DeweyClass: 541.22
Resource type: images, reference data
- Glaxo Wellcome
- Provides informative articles on disease and disease management issues, free molecular modelling software, an online pharmacology guide, healthcare bookmarks, contact details, and news.
Author: Glaxo Wellcome
Subjects: diseases, medical software, molecular modelling, pharmaceutics, pharmacology
DeweyClass: 616
Resource type: documents, guide, software
- Journal of Molecular Modelling
- Focuses on "hardcore" modeling, publishing high-quality research and reports, and covers all aspects of molecular modeling including life science modeling; materials modeling; new methods; and computational chemistry. Subject areas include computer-aided molecular design, quantum chemistry, visualisation, classification and handling of chemical data, rational drug design, protein and peptide modelling, molecular mechanics/dynamics simulation of polymers and biopolymers, prediction of biological activities (QSAR) and physico-chemical properties (QSPR), genetic algorithms and neural nets, and catalyst modelling.
Author: Springer
Subjects: chemistry research, molecular modelling
DeweyClass: 541
Resource type: journal
- Journal of Molecular Structure: THEOCHEM
- Publishes research related to the theory and modelling of molecular systems, including electronic structure, graphical approaches to structure and properties, molecular modelling, reaction dynamics and scattering, spectroscopic and experimental studies, and statistical mechanics.
Author: Elsevier Science
Subjects: chemistry research, molecular modelling, spectroscopy
DeweyClass: 541
Resource type: journal
- MolBank
- Electronic journal for chemists where short refereed papers on experimental data records for individual molecules are published. Focusing on unconventional, experimental data such as starting materials and synthetic intermediates, items are searchable by substructure or chemical and physical characteristics.
Author: Molecular Diversity Preservation International
Subjects: molecular modelling, organic chemistry
DeweyClass: 547
Resource type: journal
- Molecular Modelling Database
- Searchable database of three-dimensional structures determined by X-ray crystallography and NMR spectroscopy. Structural data is cross-linked to bibliographic information, sequence databases, and to the NCBI taxonomy.
Author: National Center for Biotechnology Information
Subjects: crystallography, molecular modelling, x-rays
DeweyClass: 541.22
Resource type: images, reference data
- Molecular Modelling for Organic Chemistry
- Course of eight lectures and lecture-demonstrations which aim to introduce in a simple way the hierarchy of computational modelling methods used as standard tools by organic chemists for searching for, rationalising and predicting structure and reactivity of organic, bio-organic and organometallic molecules.
Author: Rzepa, Henry S., Imperial College of Science, Technology and Medicine
Subjects: molecular modelling, organic chemistry
DeweyClass: 547
Resource type: documents
- Molecule of the Month
- Collection of links to information about interesting or significant molecules, with a new entry being added each month. All pages are available in HTML format, with others also offered as Chime, VRML, or Java versions.
Author: May, Paul
Subjects: molecular modelling
DeweyClass: 541.22
Resource type: index
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