Informacja

Drogi użytkowniku, aplikacja do prawidłowego działania wymaga obsługi JavaScript. Proszę włącz obsługę JavaScript w Twojej przeglądarce.

English (EN)·Polski (PL)·Yкраїнський (UK)
Przejdź do strony domowej biblioteki Centralna Biblioteka Wojskowa Link otwiera się w nowym oknie Logo biblioteki Prolib Integro - strona głównaCentralna Biblioteka Wojskowa

Wyszukujesz frazę "mahmood, tariq" wg kryterium: Autor

  Lista filtrów
Wyrównaj
    Wyświetlanie 1-4 z 4
    Tytuł:
    Selective arylation of phenol proteted propygyl bromide via pd-catalysed Suzuki coupling reaction: synthesis, mechanistic studies by DFT calculations and Their Pharmacological Aspects
    Autorzy:
    farooq, hira
    rasool, nasir
    Ansari, Muhammad T.
    rizwan, komal
    mahmood, tariq
    israr, hira
    Ayub, Khurshid
    rasheed, tahir
    Zareen, Seema
    Akhtar, muhammad N.
    iqbal, sarosh
    Powiązania:
    https://bibliotekanauki.pl/articles/895304.pdf
    Data publikacji:
    2018-08-31
    Wydawca:
    Polskie Towarzystwo Farmaceutyczne
    Tematy:
    biofilm
    phenol
    DFT
    Suzuki coupling
    organoboron
    Biaryl
    Opis:
    Biaryls are the potential source of synthetic drugs. The present study describes the synthesis of a series of functionalized biphenyl derivatives (3a-3g) using Pd-catalyzed Suzuki coupling reaction. The experimental results revealed the facile synthesis of biphenyl derivatives (3a-3g) with notably high yield (80-88 %). Density functional theory (DFT) studies were performed by Gaussian 09 software in order to rationalize the selectivity of coupling at C-Br bond instead of C-Cl bond. In addition of synthesis, the biological activities (biofilm inhibition, hemolytic and anti-thrombolytic) of these novel compounds were investigated. These results exhibited good biofilm inhibition (5.86-65.8 %), hemolytic (1.32-30.1 %) and anti-thrombolytic activities (9.64-42.5 %), indicating the potential use of these compounds for pharmaceutical applications.
    Źródło:
    Acta Poloniae Pharmaceutica - Drug Research; 2018, 75, 4; 911-919
    0001-6837
    2353-5288
    Pojawia się w:
    Acta Poloniae Pharmaceutica - Drug Research
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Under Pressure DFT Investigations on Optical and Electronic Properties of PbZrO₃
    Autorzy:
    Nazir, G.
    Tariq, Saad
    Afaq, A.
    Mahmood, Q.
    Saad, S.
    Mahmood, A.
    Tariq, Samar
    Powiązania:
    https://bibliotekanauki.pl/articles/1030608.pdf
    Data publikacji:
    2018-01
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    density functional theory
    optical properties
    electronic structure
    high pressure
    Opis:
    In this article, density functional theory has been used to investigate the structural and optoelectronic properties of PbZrO₃ (PZO) under pressure from 0 to 350 GPa. In order to achieve ground state structural stability, generalized gradient approximations has been utilized. By studying electronic properties, indirect band-gap nature of PZO appears to change at 15 GPa to direct band-gap. Optical analysis include under pressure responses of real and imaginary parts of dielectric function, optical conductivity, optical absorption coefficient, energy loss function, refractive index, reflectivity and extinction coefficient. Most of the results have been found to be consistent with literature. Study reveals that static dielectric constant and band-gap are in accordance with the Penn model which validates our computed results. Moreover, static dielectric constant and static refractive index directly increases with pressure. Material preserves its positive value of refractive index at all pressures and therefore, it is not a negative index metamaterial. Plasma frequency increases directly with pressure that destabilize the under study material. Our results could be very useful for developing novel optoelectronic devices based on PZO suitable to work under extreme conditions.
    Źródło:
    Acta Physica Polonica A; 2018, 133, 1; 105-113
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    An investigation of 2013 Mw 7.7 Awaran earthquake, Pakistan
    Autorzy:
    Mahmood, I.
    Iqbal, M.F.
    Mughal, M.R.
    Shahzad, M.I.
    Tariq, S.
    Ullah, K.
    Powiązania:
    https://bibliotekanauki.pl/articles/11915.pdf
    Data publikacji:
    2017
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Źródło:
    International Letters of Natural Sciences; 2017, 61
    2300-9675
    Pojawia się w:
    International Letters of Natural Sciences
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Experimental and Theoretical Investigation to Study the Molecular Structure, Electronic Properties, UV–Vis Spectra of Coumarin 102
    Autorzy:
    Mohi, Ali T.
    Abood, Tareq H.
    Hadi, Hasan A.
    Karim, Mahmood S.
    Mutlik, Falah A-H.
    Alwan, Tariq J.
    Powiązania:
    https://bibliotekanauki.pl/articles/1178533.pdf
    Data publikacji:
    2017
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    DFT
    Ionization potential
    TDDFT
    electron affinity
    energy gap and UV spectra
    Opis:
    In this work, we study the structure, electronic properties and electronic spectra of Coumarin 102 (C102) dissolved in ethanol as an experimental-theoretical investigation. The various properties of the ground and excited electronic states of coumarins 102 using density functional theory (DFT) and time-dependent density functional theory (TDDFT) was calculated by the B3LYP density functional model with 6-31G(d,p) basis set by Gaussian 09 W program. Spectral characteristics of coumarin 102 have been probed into by methods of experimental UV-visible, and quantum chemistry. The UV spectrum was measured in Ethanol. The optimized structures, total energies, electronic states (HOMO- LUMO), energy gap, ionization potentials, electron affinities, chemical potential, global hardness, softness, global electrophilictity, dipole moment and electrostatic potential was calculated. were calculated. We find good agreement between experimental data of UV spectrum and TDDFT excitation energies.
    Źródło:
    World Scientific News; 2017, 70, 2; 216-229
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-4 z 4

      Ta witryna wykorzystuje pliki cookies do przechowywania informacji na Twoim komputerze. Pliki cookies stosujemy w celu świadczenia usług na najwyższym poziomie, w tym w sposób dostosowany do indywidualnych potrzeb. Korzystanie z witryny bez zmiany ustawień dotyczących cookies oznacza, że będą one zamieszczane w Twoim komputerze. W każdym momencie możesz dokonać zmiany ustawień dotyczących cookies