共 50 条
- [31] Synthesis, crystal structure, hirshfeld surface analysis, DFT calculations, anti-diabetic activity and molecular docking studies of (E)-N′-(5-bromo-2-hydroxybenzylidene) isonicotinohydrazideJOURNAL OF MOLECULAR STRUCTURE, 2020, 1221 (1221)Karrouchi, KhalidFettach, SaadJotani, Mukesh M.Sagaama, AbirRadi, SmaailGhabbour, Hazem A.Mabkhot, Yahia N.Himmi, BenacerFaouzi, My El AbbesIssaoui, Noureddine
- [32] Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ ions (n=2, 3; M = Ni, Cd, Mn, Co and Cu)CRYSTENGCOMM, 2016, 18 (06) : 1009 - 1023Mahmoudi, GhodratCastineiras, AlfonsoGarczarek, PiotrBauza, AntonioRheingold, Arnold L.Kinzhybalo, VasylFrontera, Antonio
- [33] Synthesis, crystal structure, spectroscopic characterization, DFT calculations, Hirshfeld surface analysis, molecular docking, and molecular dynamics simulation investigations of novel pyrazolopyranopyrimidine derivativesJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2024, 42 (22): : 12195 - 12213Elmachkouri, Younesse AitIrrou, EzaddineThiruvalluvar, Aravazhi AmalanAnouar, El HassaneVaradharajan, VenkatramananOuachtak, HassanMague, Joel T.Sebbar, Nada KheiraEssassi, El MokhtarLabd Taha, Mohamed
- [34] A novel series of thiosemicarbazone hybrid scaffolds: Design, synthesis, DFT studies, metabolic enzyme inhibition properties, and molecular docking calculationsJOURNAL OF MOLECULAR STRUCTURE, 2023, 1280Yakan, HasanMuglu, HalitTurkes, CuneytDemir, YelizErdogan, MusaCavus, Muhammet SerdarBeydemir, Sukru
- [35] Synthesis and Characterization of Novel Copper(II)-Sunitinib Complex: Molecular Docking, DFT Studies, Hirshfeld Analysis and Cytotoxicity StudiesINORGANICS, 2022, 10 (01)Tarasi, FacundoLanza, Priscila AilinFerretti, ValeriaEcheverria, Gustavo AlbertoPiro, Oscar EnriqueCacicedo, MaximilianoGehring, StephanLeon, Ignacio EstebanIslas, Maria Soledad
- [36] Spectroscopic investigation, Hirshfeld surface analysis and molecular docking studies on mebendazole and its derivativesJOURNAL OF MOLECULAR STRUCTURE, 2021, 1227Daniel, A. BetaAruldhas, D.Balachandran, S.George, JesbyJoe, I. Hubert
- [37] Spectroscopic studies, TD/DFT calculations, electrochemical, antibacterial, and Hirshfeld surface analysis of Ni(II) and Co(III) complexes based on 3-ethoxy salicylaldehydeJOURNAL OF MOLECULAR STRUCTURE, 2022, 1266Chai, Lan-QinLi, Cheng-GuoChai, Yong-MeiZhou, Ling
- [38] Synthesis, crystal structure characterization, DFT calculations, Hirshfeld surface analysis and 3D energy frameworks of triazole pyridazine derivatives: Theoretical and experimental studiesJOURNAL OF MOLECULAR STRUCTURE, 2021, 1246Sallam, Hamdi HamidMohammed, Yasser Hussien IssaAl-Ostoot, Fares HezamSridhar, M. A.Khanum, Shaukath Ara
- [39] Synthesis, crystal structure, DFT studies and Hirshfeld surface analysis of novel isoxazole derivativesJOURNAL OF MOLECULAR STRUCTURE, 2021, 1228Laamari, YassineAuhmani, AzizSaadi, MohamedEl Ammari, LahcenKhouili, MostafaItto, My Youssef AitAuhmani, AbdelwahedKetatni, El Mostafa
- [40] Crystal structure, Hirshfeld surface analysis, interaction energy, and DFT studies of cholesteryl heptanoateACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2021, 77 : 686 - +Akduran, NurcanKarakurt, TuncayHokelek, Tuncer