These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
3. How do halogen bonds (S-O⋯I, N-O⋯I and C-O⋯I) and halogen-halogen contacts (C-I⋯I-C, C-F⋯F-C) subsist in crystal structures? A quantum chemical insight. Pandiyan BV; Deepa P; Kolandaivel P J Mol Model; 2017 Jan; 23(1):16. PubMed ID: 28035643 [TBL] [Abstract][Full Text] [Related]
4. A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione- Al-Wahaibi LH; Alagappan K; Gomila RM; Blacque O; Frontera A; Percino MJ; El-Emam AA; Thamotharan S RSC Adv; 2023 Nov; 13(48):34064-34077. PubMed ID: 38019986 [TBL] [Abstract][Full Text] [Related]
5. Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Navarro-Huerta A; Jellen MJ; Arcudia J; Teat SJ; Toscano RA; Merino G; Rodríguez-Molina B Chem Sci; 2020 Dec; 12(6):2181-2188. PubMed ID: 34163983 [TBL] [Abstract][Full Text] [Related]
6. Exploration of CH⋯F & CF⋯H mediated supramolecular arrangements into fluorinated terphenyls and theoretical prediction of their third-order nonlinear optical response. Adeel M; Khalid M; Ullah MA; Muhammad S; Khan MU; Tahir MN; Khan I; Asghar M; Mughal KS RSC Adv; 2021 Feb; 11(14):7766-7778. PubMed ID: 35423290 [TBL] [Abstract][Full Text] [Related]
7. Multicomponent supramolecular assemblies of 1(2H)-Phthalazinone and Tetrafluoroterephthalic acid: Understanding the role of hydrogen bonding on the structure and properties using experimental and computational analyses. Li F; Zheng Z; Zhang G; Xia S; Yu L Spectrochim Acta A Mol Biomol Spectrosc; 2020 Mar; 228():117689. PubMed ID: 31757701 [TBL] [Abstract][Full Text] [Related]
8. Cryogenic infrared spectroscopy reveals remarkably short NH Safferthal M; Greis K; Chang R; Kirschbaum C; Hoffmann W; Meijer G; von Helden G; Pagel K Phys Chem Chem Phys; 2023 Sep; 25(36):24783-24788. PubMed ID: 37671576 [TBL] [Abstract][Full Text] [Related]
9. Quantifying the Intrinsic Strength of C-H⋯O Intermolecular Interactions. Czernek J; Brus J; Czerneková V; Kobera L Molecules; 2023 May; 28(11):. PubMed ID: 37298953 [TBL] [Abstract][Full Text] [Related]
10. The enrichment ratio of atomic contacts in crystals, an indicator derived from the Hirshfeld surface analysis. Jelsch C; Ejsmont K; Huder L IUCrJ; 2014 Mar; 1(Pt 2):119-28. PubMed ID: 25075328 [TBL] [Abstract][Full Text] [Related]
11. Crystal structure of 6-bromo-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde. Ishikawa Y Acta Crystallogr E Crystallogr Commun; 2015 Jul; 71(Pt 7):857-60. PubMed ID: 26279885 [TBL] [Abstract][Full Text] [Related]
12. The significant role of the intermolecular CH⋯O/N hydrogen bonds in governing the biologically important pairs of the DNA and RNA modified bases: a comprehensive theoretical investigation. Brovarets' OO; Yurenko YP; Hovorun DM J Biomol Struct Dyn; 2015; 33(8):1624-52. PubMed ID: 25350312 [TBL] [Abstract][Full Text] [Related]
13. Tailoring long-range superlattice chirality in molecular self-assemblies Telychko M; Wang L; Hsu CH; Li G; Peng X; Song S; Su J; Chuang FC; Wu J; Wong MW; Lu J Phys Chem Chem Phys; 2021 Oct; 23(38):21489-21495. PubMed ID: 34550130 [TBL] [Abstract][Full Text] [Related]
14. DFT study and crystal structure analysis of a new nano-structure five coordinated Hg(II) complex involving C-H⋯O, N⋯O and π⋯π interactions in a supra-molecular structure. Montazerozohori M; Musavi SA; Masoudiasl A; Hojjati A; Assoud A Spectrochim Acta A Mol Biomol Spectrosc; 2015 Aug; 147():139-50. PubMed ID: 25835377 [TBL] [Abstract][Full Text] [Related]
15. Characterization of fluorine-centred `F...O' σ-hole interactions in the solid state. Sirohiwal A; Hathwar VR; Dey D; Regunathan R; Chopra D Acta Crystallogr B Struct Sci Cryst Eng Mater; 2017 Apr; 73(Pt 2):140-152. PubMed ID: 28362276 [TBL] [Abstract][Full Text] [Related]
16. Fast Quantum Approach for Evaluating the Energy of Non-Covalent Interactions in Molecular Crystals: The Case Study of Intermolecular H-Bonds in Crystalline Peroxosolvates. Medvedev AG; Churakov AV; Navasardyan MA; Prikhodchenko PV; Lev O; Vener MV Molecules; 2022 Jun; 27(13):. PubMed ID: 35807323 [TBL] [Abstract][Full Text] [Related]
17. Impact of structural differences in carcinopreventive agents indole-3-carbinol and 3,3'-diindolylmethane on biological activity. An X-ray, ¹H-¹⁴N NQDR, ¹³C CP/MAS NMR, and periodic hybrid DFT study. Latosińska JN; Latosińska M; Szafrański M; Seliger J; Žagar V; Burchardt DV Eur J Pharm Sci; 2015 Sep; 77():141-53. PubMed ID: 26066413 [TBL] [Abstract][Full Text] [Related]
18. Tetrel Bonding and Other Non-Covalent Interactions Assisted Supramolecular Aggregation in a New Pb(II) Complex of an Isonicotinohydrazide. Mahmoudi G; Abedi M; Lawrence SE; Zangrando E; Babashkina MG; Klein A; Frontera A; Safin DA Molecules; 2020 Sep; 25(18):. PubMed ID: 32899863 [TBL] [Abstract][Full Text] [Related]
19. Effect of methoxy substituents on the structural and electronic properties of fluorinated cyclobutenes: a study of hexafluorocyclobutene and its vinyl methoxy derivatives by XRD and periodic DFT calculations. Lo Presti L; Ellern A; Destro R; Lunelli B J Phys Chem A; 2009 Apr; 113(13):3186-96. PubMed ID: 19253992 [TBL] [Abstract][Full Text] [Related]
20. Anion-driven supramolecular modulation of spin-crossover properties in mononuclear iron(III) Schiff-base complexes. Yu ZM; Zhao SZ; Wang YT; Xu PY; Qin CY; Li YH; Zhou XH; Wang S Dalton Trans; 2021 Nov; 50(42):15210-15223. PubMed ID: 34622889 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]