DFT study of conformation, hydrogen bonds, IR, and Raman spectra of the sodium salt of p-hexasulfonatocalix[6]arene DFT
Publication date: Available online 12 June 2021Source: Journal of Molecular StructureAuthor(s): V.L. Furer, A.E. Vandyukov, S.R. Kleshnina, S.E. Solovieva, I.S. Antipin, V.I. Kovalenko (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 13, 2021 Category: Molecular Biology Source Type: research
Jet cooled laser-induced fluorescence spectroscopy of tantalum monocarbide: Observation of ground state vibrations and low-energy states.
Publication date: Available online 13 June 2021Source: Journal of Molecular StructureAuthor(s): S.G. Nakhate, Sheo Mukund, Soumen Bhattacharyya (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 13, 2021 Category: Molecular Biology Source Type: research
One-pot strategy for thiazole tethered 7-ethoxy quinoline hybrids: Synthesis and potential antimicrobial agents as dihydrofolate reductase (DHFR) inhibitors with molecular docking study
Publication date: 15 October 2021Source: Journal of Molecular Structure, Volume 1242Author(s): Yousry A. Ammar, Sondos M.A. Abd El-Hafez, Sadia A. Hessein, Abeer M. Ali, Ahmed A. Askar, Ahmed Ragab (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 13, 2021 Category: Molecular Biology Source Type: research
Experimental and DFT studies of metal pincer complexes: An insight on structures and bonding
Publication date: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): Pratidnya Shendge, Shailza Sharma, Minati Baral, B.K. Kanungo (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 13, 2021 Category: Molecular Biology Source Type: research
Synthesis and characterization of axially modified Zn(II) porphyrin complexes for methylene blue dye oxidative degradation
Publication date: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): Raoudha Soury, Khalaf M. Alenezi, Mahjoub Jabli, Ashanul Haque, Ahmed Al Otaibi, Hani El Moll, Christian Philouze (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 13, 2021 Category: Molecular Biology Source Type: research
Two novel heteroglycan with coagulant activity from flowers of Cercis chinensis Bunge
Publication date: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): Zhenhua Yin, Juanjuan Zhang, Qingfeng Guo, Kai Sun, Lin Chen, Wei Zhang, Baocheng Yang, Wenyi Kang (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 13, 2021 Category: Molecular Biology Source Type: research
2-(2-Amino-6-methylpyrimidin-4-yl)-4-arylmethylidene- 5-methyl-2,4-dihydro-3H-pyrazol-3-ones: design, synthesis, structure, in vitro anti-tubercular activity, and molecular docking study
Publication date: Available online 11 June 2021Source: Journal of Molecular StructureAuthor(s): Andrei V. Erkin, Aleksandra V. Yurieva, Oleg S. Yuzikhin, Vladislav V. Gurzhiy, Viktor I. Krutikov (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 13, 2021 Category: Molecular Biology Source Type: research
Design, Spectroscopy, Quantum Chemical Study and Hirshfeld analysis of Single Crystal Ferrocene-based Boronate Ester
Publication date: Available online 11 June 2021Source: Journal of Molecular StructureAuthor(s): Ümit CEYLAN, Şerife Pınar YALÇIN, Ahmet KILIÇ, Emine AYTAR, Muhittin AYGÜN (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 13, 2021 Category: Molecular Biology Source Type: research
Theoretical and electrochemical analysis on inhibition effects of benzotriazole derivatives (un- and methyl) on copper surface
Publication date: Available online 11 June 2021Source: Journal of Molecular StructureAuthor(s): Da Yin, Liu Yang, Baimei Tan, Tengda Ma, Shihao Zhang, Yazhen Wang, Lei Guo, Baohong Gao, Yangang He (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 13, 2021 Category: Molecular Biology Source Type: research
Structural and spectroscopic analysis of the Cis-Trans isomers of the captopril in the gaseous and aqueous phases
Publication date: Available online 11 June 2021Source: Journal of Molecular StructureAuthor(s): D.L.M. Vasconcelos, C.B. Silva, A.M.R. Teixeira, P.T.C. Freire (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 13, 2021 Category: Molecular Biology Source Type: research
Design synthesis and photophysical properties of a novel antitumor fluorescence agents
Publication date: Available online 11 June 2021Source: Journal of Molecular StructureAuthor(s): Jia Cao, Guangchang Lian, Xueyon Qi, Guofan Jin (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 13, 2021 Category: Molecular Biology Source Type: research
A DFT and molecular dynamics simulation study of single-walled carbon nanotube as a drug delivery system for few model nitrogen mustard drugs
Publication date: Available online 11 June 2021Source: Journal of Molecular StructureAuthor(s): Pradyumna Mazumdar, Diganta Choudhury, Gargi Borgohain (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 13, 2021 Category: Molecular Biology Source Type: research
Visible light photocatalytic degradation of methyl parathion as chemical warfare agents simulant via GO-Fe3O4/Bi2MoO6 nanocomposite
Publication date: Available online 11 June 2021Source: Journal of Molecular StructureAuthor(s): Peyman Nasiripur, Mostafa Zangiabadi, Mohammad Hadi Baghersad (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 13, 2021 Category: Molecular Biology Source Type: research
Design, synthesis, anticancer activity and molecular docking analysis of novel dinitrophenylpyrazole bearing 1,2,3-triazoles
Publication date: Available online 11 June 2021Source: Journal of Molecular StructureAuthor(s): Kotyada Suryanarayana, Alice Rinky Robert, Nagaraju Kerru, Thangaiyan Pooventhiran, Renjith Thomas, Suresh Maddila, Sreekantha B. Jonnalagadda (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 13, 2021 Category: Molecular Biology Source Type: research
Highly selective and sensitive optical discrimination of Pyrophosphate ion by a Zn(ll)-terpyridine complex in aqueous medium at physiological pH
Publication date: Available online 11 June 2021Source: Journal of Molecular StructureAuthor(s): Aditya Kumar Purohit, Hemanta K. Kisan, Sumanta Sahu, Pravin Kumar Kar (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 13, 2021 Category: Molecular Biology Source Type: research
