The nature of interactions in nicotinamide crystal.
Explore this paper's citation graph
Summary
The principal finding of this study is that the stability of nicotinamide complexes is a complicated interplay of four (large in magnitude) interaction-energy components, i.e. induction, dispersion, electrostatic and exchange repulsion.
- Type
- article
- Published
- 2014-06-01
- Cited by
- 4
- References
- 42
- OpenAlex
- https://openalex.org/W1976269751
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:29310232
Keywords
Nicotinamide, Chemistry, Crystal (programming language), Computational chemistry, Biophysics
References
- On the nature of intermolecular interactions in nucleic acid base-amino acid side-chain complexes.
- Co-Crystals of Active Pharmaceutical Ingredients - Acetazolamide
- Prevention or delay of Type 1 (insulin-dependent) diabetes mellitus in children using nicotinamide
- CHARACTERIZATION OF C-H-O HYDROGEN-BONDS ON THE BASIS OF THE CHARGE-DENSITY
- Use of a Glutaric Acid Cocrystal to Improve Oral Bioavailability of a Low Solubility API
- On the importance of electrostatics in stabilization of stacked guanine–adenine complexes appearing in B-DNA crystals
- Structural variability and the nature of intermolecular interactions in Watson-Crick B-DNA base pairs.
- The crystal structure of nicotinamide
- The role of databases in support of computational chemistry calculations
- Atoms in molecules : a quantum theory
- Nicotinamide (vitamin B3) as an effective antioxidant against oxidative damage in rat brain mitochondria.
- B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals
- Nicotinamide Protects against Ethanol-Induced Apoptotic Neurodegeneration in the Developing Mouse Brain
- Simultaneously Improving the Mechanical Properties, Dissolution Performance, and Hygroscopicity of Ibuprofen and Flurbiprofen by Cocrystallization with Nicotinamide
- The salt-cocrystal continuum: the influence of crystal structure on ionization state.
- General atomic and molecular electronic structure system
- Different Hydrogen-Bonded Interactions in the Cocrystals of Nicotinamide with Two Aromatic Acids
- Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? I. Comparison of Lattice Energies
- Hydrogen-hydrogen bonding: a stabilizing interaction in molecules and crystals.
- Molpro: a general‐purpose quantum chemistry program package
Cited by
- Theoretical study on the molecular structure, intermolecular interaction and spectral features of 2-aminopyridine/ 2,3-dichloro-5,6-dicyano-1,4-benzoquinone complex
- Do hydrogen bonding and noncovalent interactions stabilize nicotinamide-picric acid cocrystal supramolecular assembly?
- Investigation of plasma metabolomics and neurotransmitter dysfunction in the process of Alzheimer's disease rat induced by amyloid beta 25-35
- Molecular Structure, Hydrogen Bonding Interactions and Docking Simulations of Nicotinamide (Monomeric and Trimeric Models) by Using Spectroscopy and Theoretical Approach
Related papers
- ФОРМИРОВAНИЕ ГОТОВНОСТИ БУДУЩИХ ПЕДAГОГОВ К ОРГAНИЗAЦИИ РAБОТЫ ПО РAЗВИТИЮ ВAЛЕОЛОГИЧЕСКОЙ КУЛЬТУРЫ ШКОЛЬНИКОВ
- A GEOMETRIC MEAN IN THE FURUTA INEQUALITY
- Darstellung perhalogenierter Dimethyldisulfane durch photochemische Reaktion von CSF2 und CSFCI mit Sulfenylbromiden bzw. ‐chloriden
- Chemistry of geminal diazides. Rearrangements to N-Cyano compounds
- Reaktionen mit 3-Chloro-1,2-benzisothiazolium-chloriden. Synthese von 2-substituierten 3-Amino-benzo[b]-thiophenen
- Chemistry of acetylenes