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...

Saved in:

书目详细资料
主要作者:	Mohd Yunus, Yusri
格式:	Thesis
语言:	English
出版:	2020
主题:	Physical and theoretical chemistry
在线阅读:	https://ir.uitm.edu.my/id/eprint/59873/1/59873.pdf
标签:	添加标签没有标签, 成为第一个标记此记录!

相似书籍

Density functional theory simulation of vibrations in glasses /
由: Ahmad Nazrul Rosli
出版: (2008)

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

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

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

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

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

Synthesis, Characterization, Density Functional Theory Analyses And Nonlinear Optical Properties Of New Chalcone Derivatives
由: Zainuri, Dian Alwani
出版: (2020)

Density Functional Theory Investigation On The Electronic Structures, Dynamics, And Hyperfine Interactions Of Muoniated Tetraphenyl Derivatives
由: Toh, Pek Lan
出版: (2013)

Structure, electronic and thermoelectric properties of XCuOTe (X: Bi, Ce, La) by density functional theory
由: Mohd. Amin, Muhammad Azim Izzuddin
出版: (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
由: Abdullah, Nor Ain Fathihah
出版: (2018)

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

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

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

Robust Kernel Density Function Estimation
由: Dadkhah, Kourosh
出版: (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
由: Hussin, Nur Hafiz
出版: (2019)

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

Analysis Of Thrust Density Calculation For Linear Dc Actuators
由: Awaludin, Noor Azita
出版: (2006)

Meijer's G-functions in univalent function theory and its applications /
由: 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
由: Mohamad Taib, Mohamad Fariz
出版: (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
由: Mohammad Fuad, Nur Adlin Sofiya
出版: (2023)

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

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

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

Riemann mapping function : some theories and construction
由: Isa, Syahirbanun
出版: (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
由: Muhamad Shukri, Maisaratul Shamimi
出版: (2024)

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

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

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

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

On certain differential and integral operators in geometric function theory /
由: Muhammad Imran Faisal
出版: (2012)

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

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

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

Theory and applications of radial basis function neurofuzzy control systems
由: Teo, Lian Seng
出版: (1998)

Assessment of indoor air movement in a Malaysian student residential building case study: Politeknik Ungku Omar / Mohd Yusri Yunus
由: Yunus, Mohd Yusri
出版: (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
由: Samat, Mohd Hazrie
出版: (2019)

New subclasses of univalent functions and their properties / Yuzaimi Yunus
由: Yunus, Yuzaimi
出版: (2023)

Autonomous anomaly detection using density-based features in streaming data / Muhammmad Yunus Iqbal Basheer
由: Iqbal Basheer, Muhammmad Yunus
出版: (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
由: Md Jahangir Alam, Nurakma Natasya
出版: (2023)

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

Services hosted by the Perpustakaan Sultan Abdul Samad, Universiti Putra Malaysia with Cooperation MySyL Group