Scholarworks@UNIST

UNIST Library
Search

Browsing by Keyword : DENSITY-FUNCTIONAL-THEORY

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 1 to 8 of 8

Insights into carbon nanotube and graphene formation mechanisms from molecular simulations: a review File

Page, A. J. , Ding, F. , Irle, S. , Morokuma, K.

Article Issue Date2015-02 View6
Long range interactions in nanoscale science File

French, Roger H. , Parsegian, V. Adrian , Podgornik, Rudolf , Rajter, Rick F. , Jagota, Anand , Luo, Jian , Asthagiri, Dilip , Chaudhury, Manoj K. , Chiang, Yet-ming , Granick, Steve , et al

Article Issue Date2010-06 View4
Mo-based MXenes: Synthesis, properties, and applications File

Hussain, Iftikhar , Amara, Umay , Bibi, Faiza , Hanan, Abdul , Lakhan, Muhammad Nazim , Soomro, Irfan Ali , Khan, Amjad , Shaheen, Irum , Sajjad, Uzair , Rani, Gokana Mohana , et al

Article Issue Date2024-02 View37
Synthesis, acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) activities, and molecular docking studies of a novel compound based on combination of flurbiprofen and isoniazide File File

Asghar, Amina , Yousuf, Muhammad , Fareed, Ghulam , Nazir, Rabia , Hassan, Abida , Maalik, Aneela , Noor, Tayyaba , Iqbal, Naseem , Rasheed, Lubna

Article Issue Date2020-05 View8
Synthesis, crystal structure, Hirshfeld surface investigation and comparative DFT studies of ethyl 2-[2-(2-nitrobenzylidene)hydrazinyl] thiazole-4-carboxylate File File

Haroon, Muhammad , Akhtar, Tashfeen , Yousuf, Muhammad , Tahir, Muhammad Nawaz , Rasheed, Lubna , Zahra, Syeda Saniya , ul Haq, Ihsan , Ashfaq, Muhammad

Article Issue Date2022-03 View6
Synthesis, spectroscopic characterization and crystallographic behavior of ethyl 2-(4-methyl-(2-benzylidenehydraziny1))thiazole-4-carboxylate: Experimental and theoretical (DFT) studies File

Haroon, Muhammad , Akhtar, Tashfeen , Yousuf, Muhammad , Baig, Mirza Wasif , Tahir, Muhammad Nawaz , Rasheed, Lubna

Article Issue Date2018-09 View8
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 View7
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.