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Journal
Journal of molecular modeling, ISSN 1610-2940, 1995
Contains material dealing with all aspects of computational chemistry. 
Molecules | Periodicals | Data processing | Models | Mathematical models | Molecular structure
Journal
Current opinion in structural biology, ISSN 0959-440X, 1991
Journal
Proteins: structure, function and genetics, ISSN 0887-3585, 1986
Journal
2010, 1st ed., Wiley series on bioinformatics, ISBN 0470470593, Volume 14, xiv, 500
"Focuses on methods for protein prediction. Delivers applications used for predicted models in other studies. Researchers rely on computational techniques to... 
Proteins | Mathematical models | Computer simulation | Structure | Life Sciences | Bioinformatics & Computational Biology | SCIENCE | Molecular Biology | Proteins—Structure—Mathematical models | Proteins—Structure—Computer simulation
Book
Journal of molecular graphics & modelling, ISSN 1093-3263, 1997
Journal
2010, ISBN 0470195576, xix, 333
Suitable for organic, physical, computational, pharmaceutical/medicinal, and polymer chemists, this title offers an understanding of the structure and... 
Molecular structure | Physical organic chemistry | Chemistry | SCIENCE | Physical & Theoretical
Book
13. Full Text Reversible complexation of ammonia by breaking a manganese–manganese bond in a manganese carbonyl ethylenedithiolate complex: a theoretical study of an unusual type of Lewis acid (Electronic supplementary information (ESI) available: Table S1. Initial H2C2S2Mn2(CO)n structures. Table S2A. Distance table for the lowest-lying H2C2S2Mn2(CO)4 structures. Table S2B. Energy ranking for H2C2S2Mn2(CO)4 structures. Table S3A. Distance table for the lowest-lying H2C2S2Mn2(CO)5 structures. Table S3B. Energy ranking for H2C2S2Mn2(CO)5 structures. Table S4A. Distance table for the lowest-lying H2C2S2Mn2(CO)6 structures. Table S4B. Energy ranking for H2C2S2Mn2(CO)6 structures. Table S5A. Distance table for the lowest-lying H2C2S2Mn2(CO)7 structures. Table S5B. Energy ranking for H2C2S2Mn2(CO)7 structures. Table S6A. Distance table for the lowest-lying H2C2S2Mn2(CO)8 structures. Table S6B. Energy ranking for H2C2S2Mn2(CO)8 structures. Table S7. Thermochemistry table for H2C2S2Mn2(CO)n systems. Table S8. Orbital energies and HOMO/LUMO gaps for H2C2S2Mn2(CO)n. Table S9. Distance table for the lowest-lying H2C2S2Mn2(CO)5·NH3 structures. Table S10. Distance table for the lowest-lying H2C2S2Mn2(CO)5·PMe3 structures. Table S11. Distance table for the lowest-lying H2C2S2Mn2(CO)6·NH3 structures. Table S12. Distance table for the lowest-lying H2C2S2Mn2(CO)6·PMe3 structures. Table S13. Harmonic ν(CO) vibrational frequencies and infrared intensities for the H2C2S2Mn2(CO)n systems. Table S14. Mulliken charges and spin densities in H2C2S2Mn2(CO)n (n = 5, 6, 7). Table S15. TD-DFT-derived spectra: main contributors to the lowest-energy maxima in H2C2S2Mn2(CO)6 and H2C2S2Mn2(CO)6·NH3. A concatenated xyz file containing the coordinates of the optimized structures. See DOI: 10.1039/c8dt04217a)
Dalton Transactions, ISSN 1477-9226, 01/2019, Volume 48, Issue 1, pp. 324 - 332
The reaction of Mn(CO)5Br with sodium ethylenedithiolate was reported in 1968 to give a dark red binuclear H2C2S2Mn2(CO)6 complex possessing the unusual... 
Lewis acid | Ammonia | Complexation | Thermochemistry | Ranking | Energy | Molecular orbitals | Tables | Bonding | Adducts | Carbonyls | Manganese
Journal Article
Journal of structural biology, ISSN 1047-8477, 1990
Journal
Nucleic Acids Research, ISSN 0305-1048, 1/2008, Volume 36, Issue suppl_1, pp. D368 - D371
Glycobiology has been brought to public attention as a frontier in the post-genomic era. Structural information about glycans has been accumulating in the... 
KEGG | PROTEIN DATA-BANK | BIOCHEMISTRY & MOLECULAR BIOLOGY | CARBOHYDRATE STRUCTURES | Carbohydrate Sequence | User-Computer Interface | Glycoconjugates - chemistry | Databases, Protein | Polysaccharides - chemistry | Internet | Carbohydrate Conformation | Glycoproteins - chemistry | Databases, Factual | Index Medicus
Journal Article
Journal of molecular structure, ISSN 0022-2860, 1967
Journal
Structure and bonding, ISSN 0081-5993, 1966
Journal
Journal Article
Macromolecular structures, ISSN 0963-6986, 1991
Journal
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