Circular dichroism spectra calculation of diastereomeric c-7 pentacyclic oxindole alkaloids using density functional theory and time-dependent density functional theory methods / Yusri Mohd Yunus

Circular dichroism spectra calculation of diastereomeric c-7 pentacyclic oxindole alkaloids using density functional theory and time-dependent density functional theory methods / Yusri Mohd Yunus

Density Functional Theory (DFT) and time-dependent density functional theory (TD-DFT) are reliable methods to calculate circular dichroism (CD) spectra in assigning the absolute configuration (AC) of chiral compounds. It requires choosing the correct level of theory that includes basis set, exchange...

وصف كامل

محفوظ في:

التفاصيل البيبلوغرافية
المؤلف الرئيسي:	Mohd Yunus, Yusri
التنسيق:	أطروحة
اللغة:	English
منشور في:	2020
الموضوعات:	Physical and theoretical chemistry
الوصول للمادة أونلاين:	https://ir.uitm.edu.my/id/eprint/59873/1/59873.pdf
الوسوم:	إضافة وسم لا توجد وسوم, كن أول من يضع وسما على هذه التسجيلة!

مواد مشابهة

Density functional theory simulation of vibrations in glasses /
بواسطة: Ahmad Nazrul Rosli
منشور في: (2008)

First-principles density functional theory based electronic structure calculations of some zinc-oxide and zinc-sulphide polymorphs
بواسطة: Saira, Shabbir
منشور في: (2021)

Ground State Structures Of Small Boron And Boron-Carbon Clusters Via Density Functional Tight Binding And Density Functional Theory
بواسطة: Lian, Ming Huei
منشور في: (2019)

Density functional theory investigations of structural, electronic and optical properties of III arsenides
بواسطة: Anua, Nurul Najwa
منشور في: (2014)

Density functional theory simulation of magnetism due to atomic vacancies in graphene using siesta
بواسطة: Jarkoni, Norshila
منشور في: (2013)

Density functional calculation for electronic structure properties of graphene adsorbed with GaAs nanostructure
بواسطة: Abubakar, Shamsu
منشور في: (2014)

Synthesis, Characterization, Density Functional Theory Analyses And Nonlinear Optical Properties Of New Chalcone Derivatives
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منشور في: (2020)

Density Functional Theory Investigation On The Electronic Structures, Dynamics, And Hyperfine Interactions Of Muoniated Tetraphenyl Derivatives
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منشور في: (2013)

Structure, electronic and thermoelectric properties of XCuOTe (X: Bi, Ce, La) by density functional theory
بواسطة: Mohd. Amin, Muhammad Azim Izzuddin
منشور في: (2017)

Density functional theory calculations on the metal–ligand complexes of ba2+, y3+ and zr4+ with citric acid, ethylenediaminetetraacetic acid and triethylenetetraamine / Nor Ain Fathihah Abdullah
بواسطة: Abdullah, Nor Ain Fathihah
منشور في: (2018)

Theoretical study of structural, electronic, and magnetic properties of graphene with adsorbed palladium and vanadium based on density functional theory
بواسطة: Abdullahi, Yusuf Zuntu
منشور في: (2013)

Density functional theory and GW quasiparticle studies on ternary mixed chalcogenides Bi₂Te₂X (X=Se and S)
بواسطة: Shuaibu, Alhassan
منشور في: (2015)

Structure-photocatalytic activity relationship of carbon doped titanium dioxide analyzed by density functional theory and fuzzy logic graph
بواسطة: Alias, Siti Hajar
منشور في: (2020)

Robust Kernel Density Function Estimation
بواسطة: Dadkhah, Kourosh
منشور في: (2010)

First-principles calculations to investigate the properties towards lead-free tin (II) and lanthanum (III) doped lead zirconate titanate (PbZr₀.₅Ti₀.₅O₃) using density functional theory / Nur Hafiz Hussin
بواسطة: Hussin, Nur Hafiz
منشور في: (2019)

First principles study on structural, electronic and magnetic properties of heusler-type ferromagnet using density functional theory / Muhammad Noor Syazwan Saimin
بواسطة: Saimin, Muhammad Noor Syazwan
منشور في: (2023)

Analysis Of Thrust Density Calculation For Linear Dc Actuators
بواسطة: Awaludin, Noor Azita
منشور في: (2006)

Meijer's G-functions in univalent function theory and its applications /
بواسطة: Pishkoo, Amir

First principles studies on properties of Pb(II), Sn(II) and Ge(II) ferroelectric materials using density functional theory / Mohamad Fariz Mohamad Taib
بواسطة: Mohamad Taib, Mohamad Fariz
منشور في: (2014)

Simulation study on structural and electronic properties of Urea And Hydroxyapatite as slow-release fertilizer by using density functional theory (DFT) / Nur Adlin Sofiya Mohammad Fuad
بواسطة: Mohammad Fuad, Nur Adlin Sofiya
منشور في: (2023)

First principles study of polyanionic cathode materials LiFeSO4F and LiFeSO4OH using density functional theory
بواسطة: Badrudin, Fadhlul Wafi
منشور في: (2016)

Some selected topics in geometric functions theory with some extensions to q-theory /
بواسطة: Ezeafulukwe, Uzoamaka Azuka

New contributions to the theory of analytic univelent functions /
بواسطة: Al-Refai, Oqlah Sayel Oqlah
منشور في: (2010)

Riemann mapping function : some theories and construction
بواسطة: Isa, Syahirbanun
منشور في: (2003)

First principles study on properties of dopants and defects of palladium and niobium with gas molecules on graphene-based materials using density functional theory / Maisaratul Shamimi Muhamad Shukri
بواسطة: Muhamad Shukri, Maisaratul Shamimi
منشور في: (2024)

On certain classes of P-valent function and related topics in geometric function theory /
بواسطة: Amourah, Ala' Ali Nemer

AB initio density-functional study of neural gallium arsenide clusters /
بواسطة: Boo, Teck Boon
منشور في: (2001)

First-principles study of BaFe2-xNixAs2 (x=0, 0.125, 0.25, 1 and 2) superconductor using density functional theory
بواسطة: Kamaruddin, Kamaliati Hanum
منشور في: (2021)

On generalized entropy functions and coding problems of information theory /
بواسطة: Wong, Fook-choy
منشور في: (1972)

On certain differential and integral operators in geometric function theory /
بواسطة: Muhammad Imran Faisal
منشور في: (2012)

The function of sense perception in al-Maturidi's theory of knowledge /
بواسطة: Aldila bt. Isahak
منشور في: (1999)

First-principles study of thermoelectric performance of pure and Ni-doped Bi2Se3 and Bi2Te3 using density functional theory / Muhammad Zamir Mohyedin
بواسطة: Mohyedin, Muhammad Zamir
منشور في: (2020)

A study in the theory of geometric functions of a complex variable

Theory and applications of radial basis function neurofuzzy control systems
بواسطة: Teo, Lian Seng
منشور في: (1998)

Assessment of indoor air movement in a Malaysian student residential building case study: Politeknik Ungku Omar / Mohd Yusri Yunus
بواسطة: Yunus, Mohd Yusri
منشور في: (2022)

First-principles study on properties of lanthanide (Ln)-doped TiO2 (Ln = Ce, Nd and Er) for dye-sensitized solar cells using density functional theory / Mohd Hazrie Samat
بواسطة: Samat, Mohd Hazrie
منشور في: (2019)

New subclasses of univalent functions and their properties / Yuzaimi Yunus
بواسطة: Yunus, Yuzaimi
منشور في: (2023)

Autonomous anomaly detection using density-based features in streaming data / Muhammmad Yunus Iqbal Basheer
بواسطة: Iqbal Basheer, Muhammmad Yunus
منشور في: (2023)

First-principles study on structural, electronic and thermoelectric properties of bulk and surface (001) ATiO3 (A=Pb, Sn) using Density Functional Theory (DFT) / Nurakma Natasya Md Jahangir Alam
بواسطة: Md Jahangir Alam, Nurakma Natasya
منشور في: (2023)

Validation of trap density theory in single layer organic light emitting diodes with tris (8-hydroxyquinolinato) aluminium as the emissive material /
بواسطة: Mohd Suffian Zaini
منشور في: (2020)

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