skip to main content
Idioma:
Resultados 1 2 3 4 next page
Refinado por: assunto: Molecular Docking remover assunto: Molecular Orbitals remover
Result Number Material Type Add to My Shelf Action Record Details and Options
1
Quantum Computational Investigation of (E)-1-(4-methoxyphenyl)-5-methyl-N′-(3-phenoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
Quantum Computational Investigation of (E)-1-(4-methoxyphenyl)-5-methyl-N′-(3-phenoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
Material Type:
Artigo 		Adicionar ao Meu Espaço

Quantum Computational Investigation of (E)-1-(4-methoxyphenyl)-5-methyl-N′-(3-phenoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide

Gökce, Halil ; Şen, Fatih ; Sert, Yusuf ; Abdel-Wahab, Bakr F. ; Kariuki, Benson M. ; El-Hiti, Gamal A.

Molecules (Basel, Switzerland), 2022-03, Vol.27 (7), p.2193 [Periódico revisado por pares]

Basel: MDPI AG

Texto completo disponível

Citações Citado por
2
Crystal Structure, Topology, DFT and Hirshfeld Surface Analysis of a Novel Charge Transfer Complex (L3) of Anthraquinone and 4-{[(anthracen-9-yl)meth-yl] amino}-benzoic Acid (L2) Exhibiting Photocatalytic Properties: An Experimental and Theoretical Approach
Crystal Structure, Topology, DFT and Hirshfeld Surface Analysis of a Novel Charge Transfer Complex (L3) of Anthraquinone and 4-{[(anthracen-9-yl)meth-yl] amino}-benzoic Acid (L2) Exhibiting Photocatalytic Properties: An Experimental and Theoretical Approach
Material Type:
Artigo 		Adicionar ao Meu Espaço

Crystal Structure, Topology, DFT and Hirshfeld Surface Analysis of a Novel Charge Transfer Complex (L3) of Anthraquinone and 4-{[(anthracen-9-yl)meth-yl] amino}-benzoic Acid (L2) Exhibiting Photocatalytic Properties: An Experimental and Theoretical Approach

Ahmed, Adeeba ; Fatima, Aysha ; Shakya, Sonam ; Rahman, Qazi Inamur ; Ahmad, Musheer ; Javed, Saleem ; AlSalem, Huda Salem ; Ahmad, Aiman

Molecules (Basel, Switzerland), 2022-03, Vol.27 (5), p.1724 [Periódico revisado por pares]

Switzerland: MDPI AG

Texto completo disponível

Citações Citado por
3
Zn(II), Mn(III), and Co(III) complexes of Schiff base derived from 2‐hydroxy‐1‐naphthaldehyde: Synthesis, spectral surveys, single crystal structure studies, Hirshfeld surface analysis, density functional theory calculation, molecular electrostatic potential, and molecular docking evaluations
Zn(II), Mn(III), and Co(III) complexes of Schiff base derived from 2‐hydroxy‐1‐naphthaldehyde: Synthesis, spectral surveys, single crystal structure studies, Hirshfeld surface analysis, density functional theory calculation, molecular electrostatic potential, and molecular docking evaluations
Material Type:
Artigo 		Adicionar ao Meu Espaço

Zn(II), Mn(III), and Co(III) complexes of Schiff base derived from 2‐hydroxy‐1‐naphthaldehyde: Synthesis, spectral surveys, single crystal structure studies, Hirshfeld surface analysis, density functional theory calculation, molecular electrostatic potential, and molecular docking evaluations

Parvarinezhad, Sakineh ; Ramezanipoor, Sahar ; Kubicki, Maciej ; Salehi, Mehdi

Applied organometallic chemistry, 2024-06, Vol.38 (6), p.n/a [Periódico revisado por pares]

Chichester: Wiley Subscription Services, Inc

Texto completo disponível

Citações Citado por
4
Salen: Insight into the Crystal Structure, Hirshfeld Surface Analysis, Optical Properties, DFT, and Molecular Docking Studies
Salen: Insight into the Crystal Structure, Hirshfeld Surface Analysis, Optical Properties, DFT, and Molecular Docking Studies
Material Type:
Artigo 		Adicionar ao Meu Espaço

Salen: Insight into the Crystal Structure, Hirshfeld Surface Analysis, Optical Properties, DFT, and Molecular Docking Studies

Babashkina, Maria G. ; Panova, Elizaveta V. ; Alkhimova, Larisa E. ; Safin, Damir A.

Polycyclic aromatic compounds, 2023-07, Vol.43 (6), p.5116-5138 [Periódico revisado por pares]

Philadelphia: Taylor & Francis

Texto completo disponível

Citações Citado por
5
Dinuclear Phenoxo-Bridged Nickel(II) and Copper(II) Complexes of Phenolate-Based Tripodal Ligand: Theoretical and Experimental Insights
Dinuclear Phenoxo-Bridged Nickel(II) and Copper(II) Complexes of Phenolate-Based Tripodal Ligand: Theoretical and Experimental Insights
Material Type:
Artigo 		Adicionar ao Meu Espaço

Dinuclear Phenoxo-Bridged Nickel(II) and Copper(II) Complexes of Phenolate-Based Tripodal Ligand: Theoretical and Experimental Insights

Agarwal, Pratibha ; Kumar, Akhilesh ; Verma, Indresh ; Khanum, Ghazala ; Siddiqui, Nazia ; Choquesillo-Lazarte, Duane ; Mota, Antonio J. ; Javed, Saleem ; Arora, Himanshu

Polycyclic aromatic compounds, 2024-01, Vol.44 (1), p.313-332 [Periódico revisado por pares]

Philadelphia: Taylor & Francis

Texto completo disponível

Citações Citado por
6
A chiral (1R,2R)-N,N′-bis-(salicylidene)-1,2-diphenyl-1,2-ethanediamine Schiff base dye: synthesis, crystal structure, Hirshfeld surface analysis, computational study, photophysical properties and in silico antifungal activity
A chiral (1R,2R)-N,N′-bis-(salicylidene)-1,2-diphenyl-1,2-ethanediamine Schiff base dye: synthesis, crystal structure, Hirshfeld surface analysis, computational study, photophysical properties and in silico antifungal activity
Material Type:
Artigo 		Adicionar ao Meu Espaço

A chiral (1R,2R)-N,N′-bis-(salicylidene)-1,2-diphenyl-1,2-ethanediamine Schiff base dye: synthesis, crystal structure, Hirshfeld surface analysis, computational study, photophysical properties and in silico antifungal activity

Shiryaev, Alexey A. ; Goncharenko, Anastasiya N. ; Burkhanova, Tatyana M. ; Alkhimova, Larisa E. ; Babashkina, Maria G. ; Chandrasekaran, Ravikumar ; Safin, Damir A.

Journal of the Iranian Chemical Society, 2021-11, Vol.18 (11), p.2897-2911 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

Texto completo disponível

Citações Citado por
7
Synthesis, structural characterization by experimental and theoretical approaches of a new hydrazine derivative Schiff base compound
Synthesis, structural characterization by experimental and theoretical approaches of a new hydrazine derivative Schiff base compound
Material Type:
Artigo 		Adicionar ao Meu Espaço

Synthesis, structural characterization by experimental and theoretical approaches of a new hydrazine derivative Schiff base compound

Özdemir Tarı, Gonca

Molecular Crystals and Liquid Crystals, 2023-11, Vol.766 (1), p.131-155 [Periódico revisado por pares]

Philadelphia: Taylor & Francis Ltd

Texto completo disponível

Citações Citado por
8
DFT, Hirshfeld Surface, Molecular Docking and Drug Likeness Studies of Medicinally Important Coumarin Molecule
DFT, Hirshfeld Surface, Molecular Docking and Drug Likeness Studies of Medicinally Important Coumarin Molecule
Material Type:
Artigo 		Adicionar ao Meu Espaço

DFT, Hirshfeld Surface, Molecular Docking and Drug Likeness Studies of Medicinally Important Coumarin Molecule

Mir, M. Amin

Arabian journal for science and engineering (2011), 2023-06, Vol.48 (6), p.7445-7462 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

Texto completo disponível

Citações Citado por
9
Spectroscopic, Structural, DFT and Molecular Docking Studies on Novel Cocrystal Salt Hydrate of Chromotropic Acid and Its Antibiofilm Activity
Spectroscopic, Structural, DFT and Molecular Docking Studies on Novel Cocrystal Salt Hydrate of Chromotropic Acid and Its Antibiofilm Activity
Material Type:
Artigo 		Adicionar ao Meu Espaço

Spectroscopic, Structural, DFT and Molecular Docking Studies on Novel Cocrystal Salt Hydrate of Chromotropic Acid and Its Antibiofilm Activity

Abidi, Syed Sibte Asghar ; Garg, Utsav ; Azim, Yasser ; Alam, Mahboob ; Gupta, Abhishek Kumar ; Pradeep, Chullikkattil P. ; Azum, Naved ; Asiri, Abdullah M.

Arabian journal for science and engineering (2011), 2021, Vol.46 (1), p.353-364 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

Texto completo disponível

Citações Citado por
10
Synthesis, crystal structure, Hirshfeld surface analysis and molecular docking analysis of new cadmium(II) iodide complex with the pyridine, 4-(1,1-dimethylethyl)
Synthesis, crystal structure, Hirshfeld surface analysis and molecular docking analysis of new cadmium(II) iodide complex with the pyridine, 4-(1,1-dimethylethyl)
Material Type:
Artigo 		Adicionar ao Meu Espaço

Synthesis, crystal structure, Hirshfeld surface analysis and molecular docking analysis of new cadmium(II) iodide complex with the pyridine, 4-(1,1-dimethylethyl)

Celik, Sibel ; Demircioğlu, Zeynep ; Yurdakul, Senay ; Büyükgüngör, Orhan

Journal of coordination chemistry, 2022-01, Vol.75 (1-2), p.84-106 [Periódico revisado por pares]

Abingdon: Taylor & Francis

Texto completo disponível

Citações Citado por
Resultados 1 2 3 4 next page

Personalize Seus Resultados

  1. Editar

Refine Search Results

Expandir Meus Resultados

  1.   

Data de Publicação 

De até
Refinar
  1. Antes de2016  (1)
  2. 2016Até2018  (1)
  3. 2019Até2020  (2)
  4. 2021Até2022  (15)
  5. Após 2022  (19)
  6. Mais opções open sub menu

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

Buscando em bases de dados remotas. Favor aguardar.