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.
131 related articles for article (PubMed ID: 36732939)
1. An atoms-in-molecules characterization of the nature of the OO bond in peroxides and nitroxide dimers. McCutcheon JN; Clabo DA J Comput Chem; 2023 May; 44(13):1278-1290. PubMed ID: 36732939 [TBL] [Abstract][Full Text] [Related]
2. Hydrogen bonding interactions in PN...HX complexes: DFT and ab initio studies of structure, properties and topology. Varadwaj PR J Mol Model; 2010 May; 16(5):965-74. PubMed ID: 19851795 [TBL] [Abstract][Full Text] [Related]
3. An experimental (120 K) and theoretical electron-density study of KMnO4 and KClO4. Marabello D; Bianchi R; Gervasio G; Cargnoni F Acta Crystallogr A; 2004 Sep; 60(Pt 5):494-501. PubMed ID: 15477690 [TBL] [Abstract][Full Text] [Related]
4. The physical chemistry of coordinated aqua-, ammine-, and mixed-ligand Co2+ complexes: DFT studies on the structure, energetics, and topological properties of the electron density. Varadwaj PR; Marques HM Phys Chem Chem Phys; 2010 Mar; 12(9):2126-38. PubMed ID: 20165761 [TBL] [Abstract][Full Text] [Related]
5. Topology of electron charge density for chemical bonds from valence bond theory: a probe of bonding types. Zhang L; Ying F; Wu W; Hiberty PC; Shaik S Chemistry; 2009; 15(12):2979-89. PubMed ID: 19191241 [TBL] [Abstract][Full Text] [Related]
6. Experimental charge density in the transition metal complex Mn(2)(CO)(10): a comparative study. Farrugia LJ; Mallinson PR; Stewart B Acta Crystallogr B; 2003 Apr; 59(Pt 2):234-47. PubMed ID: 12657816 [TBL] [Abstract][Full Text] [Related]
7. Experimental and theoretical charge density distribution of the colossal magnetoresistive transition metal sulfide FeCr2S4. Lo Presti L; Destro R J Chem Phys; 2008 Jan; 128(4):044710. PubMed ID: 18247984 [TBL] [Abstract][Full Text] [Related]
8. Experimental electron density analysis of Mn2(CO)10: metal-metal and metal-ligand bond characterization. Bianchi R; Gervasio G; Marabello D Inorg Chem; 2000 May; 39(11):2360-6. PubMed ID: 12526497 [TBL] [Abstract][Full Text] [Related]
9. The strength of actinide-element bonds from the quantum theory of atoms-in-molecules. Huang QR; Kingham JR; Kaltsoyannis N Dalton Trans; 2015 Feb; 44(6):2554-66. PubMed ID: 25307773 [TBL] [Abstract][Full Text] [Related]
10. Characteristics and nature of the intermolecular interactions in boron-bonded complexes with carbene as electron donor: an ab initio, SAPT and QTAIM study. Esrafili MD J Mol Model; 2012 May; 18(5):2003-11. PubMed ID: 21877151 [TBL] [Abstract][Full Text] [Related]
11. 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]
12. Natural Bond Critical Point analysis: quantitative relationships between natural bond orbital-based and QTAIM-based topological descriptors of chemical bonding. Weinhold F J Comput Chem; 2012 Nov; 33(30):2440-9. PubMed ID: 22837020 [TBL] [Abstract][Full Text] [Related]
13. Properties of atoms under pressure: bonded interactions of the atoms in three perovskites. Gibbs GV; Wang D; Hin C; Ross NL; Cox DF; Crawford TD; Spackman MA; Angel RJ J Chem Phys; 2012 Oct; 137(16):164313. PubMed ID: 23126716 [TBL] [Abstract][Full Text] [Related]
14. Bonding and metastability for Group 12 dications. Sadjadi S; Matta CF; Hamilton IP J Comput Chem; 2021 Jan; 42(1):40-49. PubMed ID: 33063900 [TBL] [Abstract][Full Text] [Related]
16. Molecular structure, heteronuclear resonance assisted hydrogen bond analysis, chemical reactivity and first hyperpolarizability of a novel ethyl-4-{[(2,4-dinitrophenyl)-hydrazono]-ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate: a combined DFT and AIM approach. Singh RN; Kumar A; Tiwari RK; Rawat P; Baboo V; Verma D Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 92():295-304. PubMed ID: 22446779 [TBL] [Abstract][Full Text] [Related]
17. Halogen bonds and other noncovalent interactions in the crystal structures of trans-1,2-diiodo alkenes: an ab initio and QTAIM study. Yuan Y; Mills MJL; Li F; Du Y; Wei J; Su W J Mol Model; 2020 Nov; 26(11):331. PubMed ID: 33150494 [TBL] [Abstract][Full Text] [Related]
18. A theoretical systematic study of a series of isocyanopolyynes. Vichietti RM; Haiduke RL Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct; 114():197-204. PubMed ID: 23770509 [TBL] [Abstract][Full Text] [Related]
19. Assessment of intermolecular interactions at three sites of the arylalkyne in phenylacetylene-containing lithium-bonded complexes: ab initio and QTAIM studies. Zeng Y; Zhu M; Li X; Zheng S; Meng L J Comput Chem; 2012 May; 33(14):1321-7. PubMed ID: 22430318 [TBL] [Abstract][Full Text] [Related]
20. Prediction of electron densities, the respective laplacians, and ellipticities in bond-critical points of phenyl-CH-bonds via linear relations to parameters of inherently localized CD stretching vibrations and 1H NMR-shifts. Presselt M; Schnedermann C; Schmitt M; Popp J J Phys Chem A; 2009 Apr; 113(13):3210-22. PubMed ID: 19267443 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]