Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
---|---|---|---|
1 |
Material Type: Artigo
|
Palladium orthometallated complexes containing acetophenoneoxim synthesis, crystal structures and hirshfeld surface analysisGabriela F Bozza Renan L de Farias; Ronan F F Souza; Fillipe V Rocha; Carolina V Barra; Victor Marcelo Deflon; Eduardo Tonon de Almeida; Antonio E Mauro; Adelino V. G NettoJournal of Molecular Structure Amsterdam v. 1175, p. 195-207, Jan.2019Amsterdam 2019Localização: IQSC - Inst. Química de São Carlos (P17791 )(Acessar) |
|
2 |
Material Type: Artigo
|
Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state networkMuhammad Khalid Akbar Ali; Muhammad Usman Khan; Muhammad Nawaz Tahir; Anees Ahmad; Muhammad Ashfaq; Riaz Hussain; Sara Figueirêdo de Alcântara Morais; Ataualpa Albert Carmo BragaJournal of Molecular Structure Amsterdam: Elsevier v. 1230 p. 129827, 15 April 2021Amsterdam 2021Localização: IQSC - Inst. Química de São Carlos (P19218 )(Acessar) |
|
3 |
Material Type: Artigo
|
Synthesis, characterization and solubility of a new anthelmintic salt mebendazole nitrateEduardo L. Gutiérrez Matheus S Souza; Luan F Diniz; Javier EllenaJournal of Molecular Structure Amsterdam : Elsevier BV v. 1161, p. 113-121, June 2018Amsterdam 2018Localização: IFSC - Inst. Física de São Carlos (PROD027301 )(Acessar) |
|
4 |
Material Type: Artigo
|
Mesomorphic and computational evaluation of C N‧‧‧I halogen bonded complexes of 4-alkoxy-4′-cyanobiphenyls systems with 1,6- diiodoperfluorohexaneIngle, Kapil S. ; Thakur, Jyoti Swarup ; Bhale, Nagesh A. ; Dikundwar, Amol G. ; Nayak, Susanta K.Journal of molecular structure, 2023-11, Vol.1291, p.135995, Article 135995 [Periódico revisado por pares]Texto completo disponível |
|
5 |
Material Type: Artigo
|
Mesomorphic and computational evaluation of CN‧‧‧I halogen bonded complexes of 4-alkoxy-4′-cyanobiphenyls systems with 1,6- diiodoperfluorohexaneIngle, Kapil S. ; Thakur, Jyoti Swarup ; Bhale, Nagesh A. ; Dikundwar, Amol G. ; Nayak, Susanta K.Journal of molecular structure, 2023-11, Vol.1291, Article 135995 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
|
6 |
Material Type: Artigo
|
2-Amino-6-methylpyridine based co-crystal salt formation using succinic acid: Single-crystal analysis and computational explorationAli, Akbar ; Kuznetsov, Aleksey ; Khan, Muhammad Usman ; Tahir, Muhammad Nawaz ; Ashfaq, Muhammad ; Raza, Abdul Rauf ; Muhammad, ShabbirJournal of molecular structure, 2021-04, Vol.1230, p.129893, Article 129893 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
|
7 |
Material Type: Artigo
|
Structural, theoretical and optical investigations of two lateral twisting trinuclear Co(II) and Ni(II) salamo type complexesHuang, Ying ; Li, Wen-Da ; Wei, Yu-Xin ; Wang, Li ; Dong, Wen-KuiJournal of molecular structure, 2023-01, Vol.1272, p.134194, Article 134194 [Periódico revisado por pares]Texto completo disponível |
|
8 |
Material Type: Artigo
|
The analyses of solvent effects on infrared spectra and thermodynamic parameters, Hirshfeld surface, reduced density gradient and molecular docking of ketoprofen as a member of nonsteroidal anti-inflammatory drugsIsik, Ilknur Baldan ; Tekin, Nalan ; Sagdinc, Seda GunesdogduJournal of molecular structure, 2022-02, Vol.1250, p.131861, Article 131861 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
|
9 |
Material Type: Artigo
|
Theoretical analysis (NBO, NPA, Mulliken Population Method) and molecular orbital studies (hardness, chemical potential, electrophilicity and Fukui function analysis) of (E)-2-((4-hydroxy-2-methylphenylimino)methyl)-3-methoxyphenolDemircioğlu, Zeynep ; Kaştaş, Çiğdem Albayrak ; Büyükgüngör, OrhanJournal of molecular structure, 2015-07, Vol.1091, p.183-195 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
|
10 |
Material Type: Artigo
|
Theoretical (Hirshfeld surface, molecular docking, structural, electronic properties, NBO and NLO analyses) and spectroscopic studies of 6-chloro-2-oxindole in monomeric and dimeric formsIsik, Ilknur Baldan ; Sagdinc, Seda GunesdogduJournal of molecular structure, 2021-12, Vol.1245, p.130981, Article 130981 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |