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.
2. Halogen bond and its counterparts: Bent's rule explains the formation of nonbonding interactions. Grabowski SJ J Phys Chem A; 2011 Nov; 115(44):12340-7. PubMed ID: 21970363 [TBL] [Abstract][Full Text] [Related]
3. QTAIM characteristics of halogen bond and related interactions. Grabowski SJ J Phys Chem A; 2012 Feb; 116(7):1838-45. PubMed ID: 22273113 [TBL] [Abstract][Full Text] [Related]
4. Red- and blue-shifted hydrogen bonds: the Bent rule from quantum theory of atoms in molecules perspective. Grabowski SJ J Phys Chem A; 2011 Nov; 115(45):12789-99. PubMed ID: 21830803 [TBL] [Abstract][Full Text] [Related]
5. Nature of a hydride-halogen bond. A SAPT-, QTAIM-, and NBO-based study. Jabłoński M; Palusiak M J Phys Chem A; 2012 Mar; 116(9):2322-32. PubMed ID: 22288370 [TBL] [Abstract][Full Text] [Related]
6. Hydrogen and halogen bonds are ruled by the same mechanisms. Grabowski SJ Phys Chem Chem Phys; 2013 May; 15(19):7249-59. PubMed ID: 23576180 [TBL] [Abstract][Full Text] [Related]
7. A-X⋯σ Interactions-Halogen Bonds with σ-Electrons as the Lewis Base Centre. Grabowski SJ Molecules; 2021 Aug; 26(17):. PubMed ID: 34500610 [TBL] [Abstract][Full Text] [Related]
9. Quantification of hydrogen bond energy based on equations using spectroscopic, structural, QTAIM-based, and NBO-based descriptors which calibrated by the molecular tailoring approach. Afonin AV; Rusinska-Roszak D J Mol Model; 2023 Dec; 30(1):18. PubMed ID: 38159168 [TBL] [Abstract][Full Text] [Related]
10. Aromaticity balance, π-electron cooperativity and H-bonding properties in tautomerism of salicylideneaniline: the quantum theory of atoms in molecules (QTAIM) approach. Karabıyık H; Sevinçek R; Petek H; Aygün M J Mol Model; 2011 Jun; 17(6):1295-309. PubMed ID: 20820826 [TBL] [Abstract][Full Text] [Related]
11. Hydrogen bonds and other interactions as a response to protect doublet/octet electron structure. Grabowski SJ J Mol Model; 2018 Jan; 24(1):38. PubMed ID: 29313158 [TBL] [Abstract][Full Text] [Related]
12. Intermolecular CH···O/N H-bonds in the biologically important pairs of natural nucleobases: a thorough quantum-chemical study. Brovarets' OO; Yurenko YP; Hovorun DM J Biomol Struct Dyn; 2014; 32(6):993-1022. PubMed ID: 23730732 [TBL] [Abstract][Full Text] [Related]
13. Tetrel bond-σ-hole bond as a preliminary stage of the SN2 reaction. Grabowski SJ Phys Chem Chem Phys; 2014 Feb; 16(5):1824-34. PubMed ID: 24296531 [TBL] [Abstract][Full Text] [Related]
14. Halogen Interactions in Halogenated Oxindoles: Crystallographic and Computational Investigations of Intermolecular Interactions. Silva RAL; da Silva Filho DA; Moberg ME; Pappenfus TM; Janzen DE Molecules; 2021 Sep; 26(18):. PubMed ID: 34576963 [TBL] [Abstract][Full Text] [Related]
15. Bond paths show preferable interactions: ab initio and QTAIM studies on the X-H...pi hydrogen bond. Grabowski SJ; Ugalde JM J Phys Chem A; 2010 Jul; 114(26):7223-9. PubMed ID: 20533848 [TBL] [Abstract][Full Text] [Related]
16. Halogen bonds with carbenes acting as Lewis base units: complexes of imidazol-2-ylidene: theoretical analysis and experimental evidence. Grabowski SJ Phys Chem Chem Phys; 2023 Mar; 25(13):9636-9647. PubMed ID: 36943198 [TBL] [Abstract][Full Text] [Related]
18. A comparison of structure, bonding and non-covalent interactions of aryl halide and diarylhalonium halogen-bond donors. Javaly N; McCormick TM; Stuart DR Beilstein J Org Chem; 2024; 20():1428-1435. PubMed ID: 38952957 [TBL] [Abstract][Full Text] [Related]
19. The electronic donation and frequency shifts on the YCCH⋯BH₄⁻ boron-bonded complexes (Y=H, CH₃, CF₃ and CCl₃). Pordeus RQ; Rego DG; Oliveira BG Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jun; 145():580-587. PubMed ID: 25812944 [TBL] [Abstract][Full Text] [Related]
20. Tetrel Bonds with π-Electrons Acting as Lewis Bases-Theoretical Results and Experimental Evidences. Grabowski SJ Molecules; 2018 May; 23(5):. PubMed ID: 29762534 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]