Scholarworks@UNIST

UNIST Library
Search

Browsing by Keyword : DFT

All A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
가 나 다 라 마 바 사 아 자 차 카 타 파 하
Sort by: In order: Results/Page Etal:

Showing results 15 to 24 of 24

Self-consistent implementation of ensemble density functional theory method for multiple strongly correlated electron pairs File

Filatov, Michael , Liu, Fang , Kim, Kwang S. , Martínez, Todd J.

Article Issue Date2016-12 View5
Small Pd cluster adsorbed double vacancy defect graphene sheet for hydrogen storage: A first-principles study File

Sen, D. , Thapa, R. , Chattopadhyay, K. K.

Article Issue Date2013-03 View4
Stable-AA-Stacked Pt Nanoclusters Supported on Graphene/Ru (0001) and the Selective Catalysis: A Theoretical Study File

Yi, Ding , Zhao, Wen , Ding, Feng

Article Issue Date2019-02 View4
Synergetic Effect of Calcium Doping on Catalytic Activity of Manganese Ferrite: DFT Study and Oxidation of Hydrocarbon File File

Iqbal, Zahoor , Sadiq, Saima , Sadiq, Muhammad , Ali, Muhammad , Saeed, Khalid , Rehman, Najeeb Ur , Ilyas, Mohammad , Ullah, Saif , Jan, Saeed Ullah , Ahmad, Iftikhar , et al

Article Issue Date2020-04 View6
Synthesis, spectroscopic characterisation, DFT insight, and molecular docking studies of a coumarin derivative 3-acetyl-2-oxo-2H-chromene-6-carbohydrazide File

Hasan, Md. Sajid , Liton, Muhammad Abul Kashem , Akter, Shathee

Article Issue Date2024-01 View7
Synthesis, spectroscopic characterization, molecular docking and theoretical studies (DFT) of N-(4-aminophenylsulfonyl)-2-(4-isobutylphenyl) propanamide having potential enzyme inhibition applications File

Asghar, Amina , Yousuf, Muhammad , Mubeen, Hifsa , Nazir, Rabia , Haruna, Kabiru , Onawole, Abdulmujeeb T. , Rasheed, Lubna

Article Issue Date2019-06 View6
Synthesis, spectroscopic characterization, single crystal XRD, Hirshfeld Surface analysis and theoretical studies (DFT) of 4-adamantyl-(2-(substitutedbenzylidene)hydrazinyl)thiazoles File

Iqbal, Yasir , Haroon, Muhammad , Akhtar, Tashfeen , Ashfaq, Muhammad , Tahir, Muhammad Nawaz , Rasheed, Lubna , Yousuf, Muhammad , Zia, Muhammad Abid

Article Issue Date2022-11 View5
Thermodynamic inhibition effects of an ionic liquid (choline chloride), a naturally derived substance (urea), and their mixture (deep eutectic solvent) on CH4 hydrates File

Lee, Dongyoung , Go, Woojin , Oh, Jungmin , Lee, Joonseop , Jo, Insol , Kim, Ki-Sub , Seo, Yongwon

Article Issue Date2020-11 View2
Tomography and High-Resolution Electron Microscopy Study of Surfaces and Porosity in a Plate-like gamma-Al2O3 File

Kovarik, Libor , Genc, Arda , Wang, Chongmin , Qiu, Annie , Peden, Charles H. F. , Szanyi, Janos , Kwak, Jahun

Article Issue Date2013-01 View5
제일원리 계산을 활용한 전기화학 촉매 연구 File

김동연

Article Issue Date2021-11 View4
1

RSS 1.0 RSS 2.0

CONTACT US

UNIST | Library

Tel : 052-217-1404 / Email : scholarworks@unist.ac.kr

Copyright (c) 2023 by UNIST LIBRARY. All rights reserved.

ScholarWorks@UNIST was established as an OAK Project for the National Library of Korea.