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1
Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies
Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies
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Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies

Mohammad Asad Muhammad Nadeem Arshad; Salman A Khan; Mohammad Oves; Muhammad Khalid; Abdullah M Asiri; Ataualpa Albert Carmo Braga

Journal of Molecular Structure Amsterdam v. 1201, p. 1-14 art. 127186, 2020

Amsterdam 2020

Item não circula. Consulte sua biblioteca.(Acessar)

2
Molecular salts of terephthalic acids with 2-aminopyridine and 2-aminothiazole derivatives as potential antioxidant agents base-Acid-Base type architectures
Molecular salts of terephthalic acids with 2-aminopyridine and 2-aminothiazole derivatives as potential antioxidant agents base-Acid-Base type architectures
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Molecular salts of terephthalic acids with 2-aminopyridine and 2-aminothiazole derivatives as potential antioxidant agents base-Acid-Base type architectures

Ezzat Khan Abdullah Khan; Zarif Gul; Farhat Ullah; Muhammad Nawaz Tahir; Muhammad Khalid; Hafiz Muhammad Asif; Sumreen Asim; Ataualpa Albert Carmo Braga

Journal of Molecular Structure Amsterdam v. 1200, p. 1-15 art. 127126, 2020

Amsterdam 2020

Item não circula. Consulte sua biblioteca.(Acessar)

3
A facile synthesis and structural elucidation for furfural based chromophores prediction of linear and nonlinear optical properties
A facile synthesis and structural elucidation for furfural based chromophores prediction of linear and nonlinear optical properties
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A facile synthesis and structural elucidation for furfural based chromophores prediction of linear and nonlinear optical properties

Rifat Jawaria Muhammad Khalid; Jallat Khan; Muhammad Usman Khan; Ataualpa Albert Carmo Braga; Sidra Zahoor; Mohammed Mujahid Alam; Muhammad Imran

Journal of Molecular Structure Amsterdam v. 1249, p. 1-10 art. 131543, 2022

Amsterdam 2022

Item não circula. Consulte sua biblioteca.(Acessar)

4
2-Amino-3-methylpyridinium, 2-amino-4-methylbenzothiazolium and 2-amino-5-chloropyridinium salts. experimental and theoretical findings
2-Amino-3-methylpyridinium, 2-amino-4-methylbenzothiazolium and 2-amino-5-chloropyridinium salts. experimental and theoretical findings
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2-Amino-3-methylpyridinium, 2-amino-4-methylbenzothiazolium and 2-amino-5-chloropyridinium salts. experimental and theoretical findings

Muhammad Hanif Ezzat Khan; Muhammad Nawaz Tahir; Sara Figueirêdo de Alcântara Morais; Ataualpa Albert Carmo Braga

Journal of Molecular Structure Amsterdam v. 1222, p. 1-16 art. 128914, 2020

Amsterdam 2020

Item não circula. Consulte sua biblioteca.(Acessar)

5
Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies
Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies
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Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies

Sobia Tariq Abdul Rauf Raza; Muhammad Khalid; Syeda Laila Rubab; Muhammad Usman Khan; Akbar Ali; Muhammad Nawaz Tahir; Ataualpa Albert Carmo Braga

Journal of Molecular Structure Amsterdam v. 1203, p. 1-15 art. 127438, 2020

Amsterdam 2020

Item não circula. Consulte sua biblioteca.(Acessar)

6
Synthesis, single crystal analysis and DFT based computational studies of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrim idin-1-ium 3,4,5- trihydroxybenzoate -methanol (DETM)
Synthesis, single crystal analysis and DFT based computational studies of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrim idin-1-ium 3,4,5- trihydroxybenzoate -methanol (DETM)
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Synthesis, single crystal analysis and DFT based computational studies of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrim idin-1-ium 3,4,5- trihydroxybenzoate -methanol (DETM)

Muhammad Nawaz Tahir Shafaat Hussain Mirza; Muhammad khalid; Akbar Ali; Muhammad Usman Khan; Ataualpa Albert Carmo Braga

Journal of Molecular Structure Amsterdam v. 1180, p. 119-126, 2019

Amsterdam 2019

Item não circula. Consulte sua biblioteca.(Acessar)

7
Molecular structure of 1,4-bis(substituted-carbonyl)benzene a combined experimental and theoretical approach
Molecular structure of 1,4-bis(substituted-carbonyl)benzene a combined experimental and theoretical approach
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Molecular structure of 1,4-bis(substituted-carbonyl)benzene a combined experimental and theoretical approach

Ezzat Khan Muhammad Khalid; Zarif Gul; Adnan Shahzad; Muhammad Nawaz Tahir; Hafiz Muhammad Asif; Sumreen Asim; Ataualpa Albert Carmo Braga

Journal of Molecular Structure Amsterdam v. 1205, p. 1-14 art. 127633, 2020

Amsterdam 2020

Item não circula. Consulte sua biblioteca.(Acessar)

8
Experimental and computational investigations of new indole derivatives a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis
Experimental and computational investigations of new indole derivatives a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis
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Experimental and computational investigations of new indole derivatives a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis

Sobia Tariq Muhammad Khalid; Abdul Rauf Raza; Syeda Laila Rubab; Sara Figueirêdo de Alcântara Morais; Muhammad Usman Khan; Muhammad Nawaz Tahir; Ataualpa Albert Carmo Braga

Journal of Molecular Structure Amsterdam v. 1207, p. 1-16 art. 127803, 2020

Amsterdam 2020

Item não circula. Consulte sua biblioteca.(Acessar)

9
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)

10
Facile synthesis of chalcone derivatives as antibacterial agents: Synthesis, DNA binding, molecular docking, DFT and antioxidant studies
Facile synthesis of chalcone derivatives as antibacterial agents: Synthesis, DNA binding, molecular docking, DFT and antioxidant studies
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Facile synthesis of chalcone derivatives as antibacterial agents: Synthesis, DNA binding, molecular docking, DFT and antioxidant studies

Arif, Rizwan ; Rana, Manish ; Yasmeen, Shama ; Amaduddin ; Khan, Md Shahzad ; Abid, Mohammad ; Khan, M.S. ; Rahisuddin

Journal of molecular structure, 2020-05, Vol.1208, p.127905, Article 127905 [Periódico revisado por pares]

Elsevier B.V

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Autor/Criador 

  1. Braga, A  (9)
  2. Khalid, M  (8)
  3. Tahir, M  (7)
  4. Khan, M  (5)
  5. Khan, E  (3)
  6. Ali, A  (3)
  7. Morais, S  (3)
  8. Rubab, S  (2)
  9. Tariq, S  (2)
  10. Gul, Z  (2)
  11. Asim, S  (2)
  12. Raza, A  (2)
  13. Asif, H  (2)
  14. Imran, M  (1)
  15. Zahoor, S  (1)
  16. Hanif, M  (1)
  17. Asiri, A  (1)
  18. Oves, M  (1)
  19. Jawaria, R  (1)
  20. Alam, M  (1)
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Deste Autor:

  1. Braga, A
  2. Khalid, M
  3. Tahir, M
  4. Khan, M
  5. Khan, E

Neste Assunto:

  1. Chemistry, Physical
  2. Chemistry
  3. Physical Sciences
  4. Science & Technology
  5. Molecular Docking

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

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