140 related articles for article (PubMed ID: 35630742)
1. Theoretical Studies on the Role of Guest in α-CL-20/Guest Crystals.
Zhou M; Ye C; Xiang D
Molecules; 2022 May; 27(10):. PubMed ID: 35630742
[TBL] [Abstract][Full Text] [Related]
2. Experimental and Theoretical Study on the Stability of CL-20-Based Host-Guest Energetic Materials.
Ding R; Xu J; Tao Y; Sun J; Lei M
J Phys Chem A; 2020 Aug; 124(31):6389-6398. PubMed ID: 32654485
[TBL] [Abstract][Full Text] [Related]
3. Roles of Small Molecules in the Stability and Sensitivity of CL-20-Based Host-Guest Explosives under Electric Fields: A Reactive Molecular Dynamics Study.
Zhang J; Guo W
J Phys Chem A; 2022 Jan; 126(2):286-295. PubMed ID: 34985266
[TBL] [Abstract][Full Text] [Related]
4. Effects of Different Guests on Pyrolysis Mechanism of α-CL-20/Guest at High Temperatures by Reactive Molecular Dynamics Simulations at High Temperatures.
Zhou M; Luo J; Xiang D
Int J Mol Sci; 2023 Jan; 24(3):. PubMed ID: 36768165
[TBL] [Abstract][Full Text] [Related]
5. Intermolecular interactions between cyclo[18]carbon and XCN (X = H, F, Cl, Br, I): a theoretical study.
Zhao Q
J Mol Model; 2022 Jul; 28(8):210. PubMed ID: 35789296
[TBL] [Abstract][Full Text] [Related]
6. Influence of β-Cyclodextrin Methylation on Host-Guest Complex Stability: A Theoretical Study of Intra- and Intermolecular Interactions as Well as Host Dimer Formation.
Geue N; Alcázar JJ; Campodónico PR
Molecules; 2023 Mar; 28(6):. PubMed ID: 36985598
[TBL] [Abstract][Full Text] [Related]
7. Quantum-chemical insight into structure-reactivity relationship in 4,5,6,7-tetrahalogeno-1H-benzimidazoles: a combined X-ray, DSC, DFT/QTAIM, Hirshfeld surface-based, and molecular docking approach.
Latosińska JN; Latosińska M; Maurin JK; Orzeszko A; Kazimierczuk Z
J Phys Chem A; 2014 Mar; 118(11):2089-106. PubMed ID: 24597713
[TBL] [Abstract][Full Text] [Related]
8. Polymorphism in two biologically active dihydropyrimidinium hydrochloride derivatives: quantitative inputs towards the energetics associated with crystal packing.
Panini P; Venugopala KN; Odhav B; Chopra D
Acta Crystallogr B Struct Sci Cryst Eng Mater; 2014 Aug; 70(Pt 4):681-96. PubMed ID: 25080247
[TBL] [Abstract][Full Text] [Related]
9. Simulations on the possibility of formation of complexes between fluorouracil drug and cucurbit[n]urils: ab initio van der Waals DFT study.
Sabet M; Ganji MD
J Mol Model; 2013 Sep; 19(9):4013-23. PubMed ID: 23852000
[TBL] [Abstract][Full Text] [Related]
10. A quantum-based molecular dynamics study of the ICM-102/HNO
Xiao Y; Chen L; Geng D; Yang K; Lu J; Wu J
Phys Chem Chem Phys; 2020 Dec; 22(46):27002-27012. PubMed ID: 33210682
[TBL] [Abstract][Full Text] [Related]
11. Torsional Rotation in Ditopic Receptor Host and its Complex Formation with Resorcinol Guest: A Computational Study.
Singh HK; Sarma M
Chemphyschem; 2023 Jun; 24(11):e202200928. PubMed ID: 36749709
[TBL] [Abstract][Full Text] [Related]
12. Intermolecular Vibration Energy Transfer Process in Two CL-20-Based Cocrystals Theoretically Revealed by Two-Dimensional Infrared Spectra.
Ren HC; Ji LX; Chen TN; Jia XZ; Liu RP; Zhang XQ; Wei DQ; Wang XF; Ji GF
Molecules; 2022 Mar; 27(7):. PubMed ID: 35408551
[TBL] [Abstract][Full Text] [Related]
13. Structural Stability of the CO
Cabrera-Ramírez A; Arismendi-Arrieta DJ; Valdés Á; Prosmiti R
Chemphyschem; 2020 Dec; 21(23):2618-2628. PubMed ID: 33001534
[TBL] [Abstract][Full Text] [Related]
14. A detailed exploration of intermolecular interactions in 4-(4-dimethylaminobenzylideneamino)-N-(5-methyl-3-isoxazolyl)benzenesulfonamide and related Schiff bases: Crystal structure, spectral studies, DFT methods, Pixel energies and Hirshfeld surface analysis.
Gil DM; Salomón FF; Echeverría GA; Piro OE; Pérez H; Altabef AB
Spectrochim Acta A Mol Biomol Spectrosc; 2017 Oct; 185():286-297. PubMed ID: 28595154
[TBL] [Abstract][Full Text] [Related]
15. Mechanism of the improvement of the energy of host-guest explosives by incorporation of small guest molecules: HNO
Xiao Y; Chen L; Yang K; Geng D; Lu J; Wu J
Sci Rep; 2021 May; 11(1):10559. PubMed ID: 34006908
[TBL] [Abstract][Full Text] [Related]
16. Exploring π-π interactions and electron transport in complexes involving a hexacationic host and PAH guest: a promising avenue for molecular devices.
Singh HK; Nath U; Keot N; Sarma M
Phys Chem Chem Phys; 2023 Oct; 25(39):26767-26778. PubMed ID: 37781849
[TBL] [Abstract][Full Text] [Related]
17. A Systematic Protocol for Benchmarking Guest-Host Interactions by First-Principles Computations: Capturing CO
Arismendi-Arrieta DJ; Valdés Á; Prosmiti R
Chemistry; 2018 Jul; 24(37):9353-9363. PubMed ID: 29600599
[TBL] [Abstract][Full Text] [Related]
18. Theoretical study on host-guest interaction between pillar[4]arene and molecules or ions.
Shen C; Gong Z; Gao L; Gu M; Huan L; Wang S; Xie J
J Mol Model; 2018 Jul; 24(8):199. PubMed ID: 29987452
[TBL] [Abstract][Full Text] [Related]
19. Coinage-metal pillarplexes hosts. Insights into host-guest interaction nature and luminescence quenching effects.
Rojas-Poblete M; Rodríguez-Kessler PL; Guajardo Maturana R; Muñoz-Castro A
Phys Chem Chem Phys; 2021 Aug; 23(30):15917-15924. PubMed ID: 34086020
[TBL] [Abstract][Full Text] [Related]
20. Host-guest interactions between octa acid and cations/nucleobases.
Chakraborty D; Chattaraj PK
J Comput Chem; 2018 Jan; 39(3):161-175. PubMed ID: 29105789
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]