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Practical crystal engineering using halogen bonding: A hierarchy based on calculated molecular electrostatic potential surfaces
Practical crystal engineering using halogen bonding: A hierarchy based on calculated molecular electrostatic potential surfaces
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Practical crystal engineering using halogen bonding: A hierarchy based on calculated molecular electrostatic potential surfaces

Aakeröy, Christer B. ; Wijethunga, Tharanga K. ; Desper, John

Journal of molecular structure, 2014-08, Vol.1072, p.20-27 [Periódico revisado por pares]

Elsevier B.V

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2
Molecular structure and conformational composition of methyl chloroacetate: An electron-diffraction and ab initio molecular orbital investigation
Molecular structure and conformational composition of methyl chloroacetate: An electron-diffraction and ab initio molecular orbital investigation
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Molecular structure and conformational composition of methyl chloroacetate: An electron-diffraction and ab initio molecular orbital investigation

Aarset, Kirsten ; Boldermo, Kjell Gunnar ; Hagen, Kolbjørn

Journal of molecular structure, 2010-08, Vol.978 (1), p.104-107 [Periódico revisado por pares]

Elsevier B.V

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3
Molecular structure and conformation of phenylacetyl chloride as obtained by gas-phase electron diffraction and theoretical calculations
Molecular structure and conformation of phenylacetyl chloride as obtained by gas-phase electron diffraction and theoretical calculations
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Molecular structure and conformation of phenylacetyl chloride as obtained by gas-phase electron diffraction and theoretical calculations

Aarset, Kirsten ; Hagen, Kolbjørn

Journal of molecular structure, 2008-12, Vol.892 (1), p.373-377 [Periódico revisado por pares]

Elsevier B.V

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4
The molecular structure of propylene sulphide (methylthiirane) by gas-phase electron diffraction and theoretical calculations: A molecule used in MOCVD
The molecular structure of propylene sulphide (methylthiirane) by gas-phase electron diffraction and theoretical calculations: A molecule used in MOCVD
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The molecular structure of propylene sulphide (methylthiirane) by gas-phase electron diffraction and theoretical calculations: A molecule used in MOCVD

Aarset, Kirsten ; Page, Elizabeth M. ; Rice, David A.

Journal of molecular structure, 2011-09, Vol.1002 (1), p.19-23 [Periódico revisado por pares]

Elsevier B.V

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5
Unveiling structural features, chemical reactivity, and bioactivity of a newly synthesized purine derivative through crystallography and computational approaches
Unveiling structural features, chemical reactivity, and bioactivity of a newly synthesized purine derivative through crystallography and computational approaches
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Unveiling structural features, chemical reactivity, and bioactivity of a newly synthesized purine derivative through crystallography and computational approaches

Abad, Nadeem ; Buhlak, Shafeek ; Hajji, Melek ; Saffour, Sana ; Akachar, Jihane ; Kesgun, Yunus ; Al-Ghulikah, Hanan ; Hanashalshahaby, Essam ; Turkez, Hasan ; Mardinoglu, Adil

Journal of molecular structure, 2024-09, Vol.1311, p.138400, Article 138400 [Periódico revisado por pares]

Elsevier B.V

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6
Synthesis, DFT/TD-DFT theoretical studies, experimental characterization, electrochemical and antioxidant activity of Fe(III) complexes of bis (dimethylglyoximato) guanine
Synthesis, DFT/TD-DFT theoretical studies, experimental characterization, electrochemical and antioxidant activity of Fe(III) complexes of bis (dimethylglyoximato) guanine
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Synthesis, DFT/TD-DFT theoretical studies, experimental characterization, electrochemical and antioxidant activity of Fe(III) complexes of bis (dimethylglyoximato) guanine

Abane-Merzouk, Lamia ; Adkhis, Ahmed ; Terrachet-Bouaziz, Souhila ; Makhloufi-Chebli, Malika

Journal of molecular structure, 2019-06, Vol.1186, p.413-422 [Periódico revisado por pares]

Elsevier B.V

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7
In-situ synthesis of dinuclear Iron (III) complex; Crystal structure, DFT calculations, Hirshfield surface analysis, and molecular docking
In-situ synthesis of dinuclear Iron (III) complex; Crystal structure, DFT calculations, Hirshfield surface analysis, and molecular docking
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In-situ synthesis of dinuclear Iron (III) complex; Crystal structure, DFT calculations, Hirshfield surface analysis, and molecular docking

Abbas, Ghulam ; Franco, Francisco C. ; Janani, S. ; Mishma, J.N. Cheerlin ; Manikandan, A. ; Muthu, S. ; Anson, Christopher E.

Journal of molecular structure, 2024-02, Vol.1297, p.136933, Article 136933 [Periódico revisado por pares]

Elsevier B.V

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8
Synthesis, X-ray crystal structure and spin polarized DFT study of high spin Mn based metal-organic framework
Synthesis, X-ray crystal structure and spin polarized DFT study of high spin Mn based metal-organic framework
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Synthesis, X-ray crystal structure and spin polarized DFT study of high spin Mn based metal-organic framework

Abbas, Saghir ; Ayub, Khurshid ; Sohail, Manzar ; Ali, Saqib ; Ludwig, Ralf ; Nadeem, Muhammad Arif ; Muhammad, Shabbir

Journal of molecular structure, 2019-01, Vol.1175, p.439-444 [Periódico revisado por pares]

Elsevier B.V

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9
Synthesis of new tridentate 5-(arylazo) salicylaldimine ligands and their Cu (II) complexes
Synthesis of new tridentate 5-(arylazo) salicylaldimine ligands and their Cu (II) complexes
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Synthesis of new tridentate 5-(arylazo) salicylaldimine ligands and their Cu (II) complexes

Abbas, Samir Y. ; Basyouni, Wahid M. ; El-Bayouki, Khairy A.M.

Journal of molecular structure, 2013-10, Vol.1050, p.192-196 [Periódico revisado por pares]

Elsevier B.V

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10
(E)-3-(2-(furan-ylmethylene)hydrazinyl)-3-oxo-N-(thiazol-2yl)propanamide complexes: Synthesis, characterization and antimicrobial studies
(E)-3-(2-(furan-ylmethylene)hydrazinyl)-3-oxo-N-(thiazol-2yl)propanamide complexes: Synthesis, characterization and antimicrobial studies
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(E)-3-(2-(furan-ylmethylene)hydrazinyl)-3-oxo-N-(thiazol-2yl)propanamide complexes: Synthesis, characterization and antimicrobial studies

Abd El-Hady, M.N. ; Zaky, R.R. ; Ibrahim, K.M. ; Gomaa, E.A.

Journal of molecular structure, 2012-05, Vol.1016, p.169-180 [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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