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.
111 related articles for article (PubMed ID: 35245908)
21. Probing the Electric Field Response of a Water Molecule Confined in Small Carbon Nanocages: A Density Functional Theory Investigation. Rai S; Rai D Chemphyschem; 2024 Sep; ():e202400718. PubMed ID: 39287975 [TBL] [Abstract][Full Text] [Related]
22. First-principles and Molecular Dynamics simulation studies of functionalization of Au Darvish Ganji M; Tavassoli Larijani H; Alamol-Hoda R; Mehdizadeh M Sci Rep; 2018 Jul; 8(1):11400. PubMed ID: 30061669 [TBL] [Abstract][Full Text] [Related]
24. Optical Absorption Spectra and Electronic Properties of Symmetric and Asymmetric Squaraine Dyes for Use in DSSC Solar Cells: DFT and TD-DFT Studies. El-Shishtawy RM; Elroby SA; Asiri AM; Müllen K Int J Mol Sci; 2016 Apr; 17(4):487. PubMed ID: 27043556 [TBL] [Abstract][Full Text] [Related]
26. Optical response of quantum-sized Ag and Au clusters--cage vs. compact structures and the remarkable insensitivity to compression. Weissker HC; Whetten RL; López-Lozano X Phys Chem Chem Phys; 2014 Jun; 16(24):12495-502. PubMed ID: 24833110 [TBL] [Abstract][Full Text] [Related]
27. Comparative density functional theory-density functional tight binding study of fullerene derivatives: effects due to fullerene size, addends, and crystallinity on band structure, charge transport and optical properties. Pal A; Wen LK; Jun CY; Jeon I; Matsuo Y; Manzhos S Phys Chem Chem Phys; 2017 Oct; 19(41):28330-28343. PubMed ID: 29034938 [TBL] [Abstract][Full Text] [Related]
28. Adsorption of Celecoxib on B Abdolahi N; Aghaei M; Soltani A; Azmoodeh Z; Balakheyli H; Heidari F Spectrochim Acta A Mol Biomol Spectrosc; 2018 Nov; 204():348-353. PubMed ID: 29957413 [TBL] [Abstract][Full Text] [Related]
29. Hollow cages versus space-filling structures for medium-sized gold clusters: the spherical aromaticity of the Au50 cage. Wang J; Jellinek J; Zhao J; Chen Z; King RB; Schleyer Pv J Phys Chem A; 2005 Oct; 109(41):9265-9. PubMed ID: 16833267 [TBL] [Abstract][Full Text] [Related]
30. Investigating functional performance and substituent effect in modelling molecular structure, UV-visible spectra, and optical properties of D-π-A conjugated organic dye molecules: a DFT and TD-DFT study. Chanana G; Batra K J Mol Model; 2021 Jul; 27(8):229. PubMed ID: 34302223 [TBL] [Abstract][Full Text] [Related]
31. Density functional theory study on Herzberg-Teller contribution in Raman scattering from 4-aminothiophenol-metal complex and metal-4-aminothiophenol-metal junction. Liu S; Zhao X; Li Y; Zhao X; Chen M J Chem Phys; 2009 Jun; 130(23):234509. PubMed ID: 19548741 [TBL] [Abstract][Full Text] [Related]
32. DFT/TD-semiempirical study on the structural and electronic properties and absorption spectra of supramolecular fullerene-porphyrine-metalloporphyrine triads based dye-sensitized solar cells. Rezvani M; Darvish Ganji M; Jameh-Bozorghi S; Niazi A Spectrochim Acta A Mol Biomol Spectrosc; 2018 Apr; 194():57-66. PubMed ID: 29324256 [TBL] [Abstract][Full Text] [Related]
33. DFT studies of single and multiple alkali metals doped C Kosar N; Tahir H; Ayub K; Mahmood T J Mol Graph Model; 2021 Jun; 105():107867. PubMed ID: 33725640 [TBL] [Abstract][Full Text] [Related]
34. Surface-enhanced Raman scattering and density functional theory calculation of uracil on gold and silver nanoparticle surfaces. Cho KH; Choo J; Joo SW Spectrochim Acta A Mol Biomol Spectrosc; 2005 Apr; 61(6):1141-5. PubMed ID: 15741113 [TBL] [Abstract][Full Text] [Related]
35. Fullerene/thiol-terminated molecules. Shirai Y; Guerrero JM; Sasaki T; He T; Ding H; Vives G; Yu BC; Cheng L; Flatt AK; Taylor PG; Gao Y; Tour JM J Org Chem; 2009 Oct; 74(20):7885-97. PubMed ID: 19757798 [TBL] [Abstract][Full Text] [Related]
36. DFT and TD-DFT theoretical studies on photo-induced electron transfer process on [Cefamandole].C60 nano-complex. Taherpour AA; Jamshidi M; Rezaei O J Mol Graph Model; 2017 Aug; 75():42-48. PubMed ID: 28505565 [TBL] [Abstract][Full Text] [Related]
37. DFT investigation on the application of pure and doped X Ndjopme Wandji BL; Tamafo Fouegue AD; Nkungli NK; Ntieche RA; Wahabou A R Soc Open Sci; 2022 Apr; 9(4):211650. PubMed ID: 35401995 [TBL] [Abstract][Full Text] [Related]
38. A new hole density as a stability measure for boron fullerenes. Polad S; Ozay M Phys Chem Chem Phys; 2013 Dec; 15(45):19819-24. PubMed ID: 24146046 [TBL] [Abstract][Full Text] [Related]
39. Spectroscopic analysis of L-histidine adsorbed on gold and silver nanoparticle surfaces investigated by surface-enhanced Raman scattering. Lim JK; Kim Y; Lee SY; Joo SW Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jan; 69(1):286-9. PubMed ID: 17572135 [TBL] [Abstract][Full Text] [Related]