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Palladium orthometallated complexes containing acetophenoneoxim synthesis, crystal structures and hirshfeld surface analysis
Palladium orthometallated complexes containing acetophenoneoxim synthesis, crystal structures and hirshfeld surface analysis
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Palladium orthometallated complexes containing acetophenoneoxim synthesis, crystal structures and hirshfeld surface analysis

Gabriela 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 Netto

Journal of Molecular Structure Amsterdam v. 1175, p. 195-207, Jan.2019

Amsterdam 2019

Localização: IQSC - Inst. Química de São Carlos    (P17791 )(Acessar)

2
Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network
Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network
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Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network

Muhammad Khalid Akbar Ali; Muhammad Usman Khan; Muhammad Nawaz Tahir; Anees Ahmad; Muhammad Ashfaq; Riaz Hussain; Sara Figueirêdo de Alcântara Morais; Ataualpa Albert Carmo Braga

Journal of Molecular Structure Amsterdam: Elsevier v. 1230 p. 129827, 15 April 2021

Amsterdam 2021

Localização: IQSC - Inst. Química de São Carlos    (P19218 )(Acessar)

3
Synthesis, characterization and solubility of a new anthelmintic salt mebendazole nitrate
Synthesis, characterization and solubility of a new anthelmintic salt mebendazole nitrate
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Synthesis, characterization and solubility of a new anthelmintic salt mebendazole nitrate

Eduardo L. Gutiérrez Matheus S Souza; Luan F Diniz; Javier Ellena

Journal of Molecular Structure Amsterdam : Elsevier BV v. 1161, p. 113-121, June 2018

Amsterdam 2018

Localização: IFSC - Inst. Física de São Carlos    (PROD027301 )(Acessar)

4
Mesomorphic and computational evaluation of C N‧‧‧I halogen bonded complexes of 4-alkoxy-4′-cyanobiphenyls systems with 1,6- diiodoperfluorohexane
Mesomorphic and computational evaluation of C N‧‧‧I halogen bonded complexes of 4-alkoxy-4′-cyanobiphenyls systems with 1,6- diiodoperfluorohexane
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Mesomorphic and computational evaluation of C N‧‧‧I halogen bonded complexes of 4-alkoxy-4′-cyanobiphenyls systems with 1,6- diiodoperfluorohexane

Ingle, 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]

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5
Mesomorphic and computational evaluation of CN‧‧‧I halogen bonded complexes of 4-alkoxy-4′-cyanobiphenyls systems with 1,6- diiodoperfluorohexane
Mesomorphic and computational evaluation of CN‧‧‧I halogen bonded complexes of 4-alkoxy-4′-cyanobiphenyls systems with 1,6- diiodoperfluorohexane
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Mesomorphic and computational evaluation of CN‧‧‧I halogen bonded complexes of 4-alkoxy-4′-cyanobiphenyls systems with 1,6- diiodoperfluorohexane

Ingle, 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.V

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6
2-Amino-6-methylpyridine based co-crystal salt formation using succinic acid: Single-crystal analysis and computational exploration
2-Amino-6-methylpyridine based co-crystal salt formation using succinic acid: Single-crystal analysis and computational exploration
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2-Amino-6-methylpyridine based co-crystal salt formation using succinic acid: Single-crystal analysis and computational exploration

Ali, Akbar ; Kuznetsov, Aleksey ; Khan, Muhammad Usman ; Tahir, Muhammad Nawaz ; Ashfaq, Muhammad ; Raza, Abdul Rauf ; Muhammad, Shabbir

Journal of molecular structure, 2021-04, Vol.1230, p.129893, Article 129893 [Periódico revisado por pares]

Elsevier B.V

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7
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 drugs
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 drugs
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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 drugs

Isik, Ilknur Baldan ; Tekin, Nalan ; Sagdinc, Seda Gunesdogdu

Journal of molecular structure, 2022-02, Vol.1250, p.131861, Article 131861 [Periódico revisado por pares]

Elsevier B.V

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8
Structural, theoretical and optical investigations of two lateral twisting trinuclear Co(II) and Ni(II) salamo type complexes
Structural, theoretical and optical investigations of two lateral twisting trinuclear Co(II) and Ni(II) salamo type complexes
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Structural, theoretical and optical investigations of two lateral twisting trinuclear Co(II) and Ni(II) salamo type complexes

Huang, Ying ; Li, Wen-Da ; Wei, Yu-Xin ; Wang, Li ; Dong, Wen-Kui

Journal of molecular structure, 2023-01, Vol.1272, p.134194, Article 134194 [Periódico revisado por pares]

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9
Crystal structure, hydrogen bonding interactions, Hirshfeld surfaces, energy frameworks, and DFT calculation of Diethyl 3-(4-substitutedbenzoyl)indolizine-1,2-dicarboxylates
Crystal structure, hydrogen bonding interactions, Hirshfeld surfaces, energy frameworks, and DFT calculation of Diethyl 3-(4-substitutedbenzoyl)indolizine-1,2-dicarboxylates
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Crystal structure, hydrogen bonding interactions, Hirshfeld surfaces, energy frameworks, and DFT calculation of Diethyl 3-(4-substitutedbenzoyl)indolizine-1,2-dicarboxylates

Nagdeve, Rahul D. ; Thakur, Jyoti Swarup ; Chandrashekharappa, Sandeep ; Bairagi, Keshab M. ; Deb, Pran Kishore ; Venugopala, Katharigatta N. ; Mondal, Pradip Kumar ; Polentarutti, Maurizio ; Alwassil, Osama I. ; Mohanlall, Viresh ; Nayak, Susanta K.

Journal of molecular structure, 2024-07, Vol.1308, Article 138080 [Periódico revisado por pares]

Elsevier B.V

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10
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-methoxyphenol
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-methoxyphenol
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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-methoxyphenol

Demircioğlu, Zeynep ; Kaştaş, Çiğdem Albayrak ; Büyükgüngör, Orhan

Journal of molecular structure, 2015-07, Vol.1091, p.183-195 [Periódico revisado por pares]

Elsevier B.V

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Deste Autor:

  1. Diniz, L
  2. Tahir, M
  3. Gutiérrez, E
  4. Hussain, R
  5. Almeida, E

Neste Assunto:

  1. Physical Sciences
  2. Chemistry
  3. Science & Technology
  4. Chemistry, Physical
  5. Mathematical Analysis

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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