Skip navigation
Home
Browse
Communities
& Collections
Browse Items by:
Issue Date
Author
Title
Subject
Help
Sign on to:
My DSpace
Receive email
updates
Edit Profile
DSpace
JSPUI
DSpace preserves and enables easy and open access to all types of digital content including text, images, moving images, mpegs and data sets
Learn More
Brainware University Digital Repository
Browsing by Subject DFT
Jump to:
0-9
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
or enter first few letters:
Sort by:
title
issue date
submit date
In order:
Ascending
Descending
Results/Page
5
10
15
20
25
30
35
40
45
50
55
60
65
70
75
80
85
90
95
100
Authors/Record:
All
1
5
10
15
20
25
30
35
40
45
50
Showing results 1 to 20 of 21
next >
Issue Date
Title
Author(s)
2026-05-26
Computational studies and in silico evaluation of CO (II) and ZN (II) comples revealing their anti-cance trait
Maitha Nagaraju
2026-05-14
Cr(II), Co (II) and Co (II) comolexe with 2 aminodiphenylamine derived schiff base ligand : synthesis, characterization, DFT and biological insights
Vishnu Kumar Modanawal
2026-05-20
Design, synthesis, in vitro and computational analyses of anticancer nicotiamide derivaties
Muhammed Gomec
2026-09-22
DFT, wave function analyses of protocatechualdehyde, a natural product
J Jebasingh Kores
2026-05-14
DFT, wavefunction and toxicity analyses of megazol
J Jebasingh Kores
2026-05-26
(E) -3-(4-Hydroxyphenyl) - 1- (4-methoxyphenyl) prop-2-en-1-one : DFT/TD-DFT- based inverstigations with distinct solvents and in silico ADME profiling
Sumeyya Serin
2026-05-20
Effect of adsorbed water molecules on reaction profile of Co oxidation catalyzed by Au5 anoclusters
Jyoti Yadav
2026-05-22
Electronic structure, vibrational spectroscopic assignment antioxidant, anticancer activity and DFT study of sone novel (1-benzyl) 2- (2 alkylaminothiazol -4-yl) benzimidazole
R. L. Anashafer
2026-06-23
First principles study of optical aspects of penta graphene monolayer undr strain effects
Hamidreza Alborznia
2026-05-29
Multifaceted analysis of intermolecular in α - terpineol - halobenzenes binary mixtures : Insights from thermophysical, acoustical, and spectral techniques, supported by quantum computational approches
Paras Patel
2026-06-03
Non-liner optical and electronic properties of oxa[n] circulenes : A theoretical insight
Vipin Kumar
2026-05-20
Quantum chemical calulations, molecular docking and ADMENT studies of trans - 4- (trifluromethyl) cinnamic acid
S Jeyavijayan
2026-05-20
Quantum chemical, spectroscopic and third order nonlinera optical investigations on 3 (3- bromophenyl)-l imidazol - ly-propenone
G Arjunan
2026-05-22
Some pyridyl moiety based metal complexes (viz., Mn+2, Co+2 and Zn+2) as potential anticancer agents and DNA nucleobase interaction : A DFT approach
Benzir Abmed
2026-05-22
Synthesis and charcterzation niacinamide compounds and computational and experimental investigation of their anticancer and antibacterial activity
Hasim Ertek
2026-05-21
Synthesis of 2- amio alcholos from imidazole derivatives : experimental and in silico study
Subham Behera
2026-05-20
Synthesis, characterization, electronic structure, vibrational assignment, HOMO-LIMO, Mulliken charge analysis, docking, antioxdant and anticancer studies of (1-methyl)2-(2- arylamionothiazol - 4- y1) benzimidazole
R L Anashafer
2026-05-20
Synthesis, computational and biological activities of 2- [2-(4-arylamino) - 4- methylphylenylamiothiazol-5 oyl] naphthalenes
J Jebalenet
2026-06-03
Synthesis, spectral characterization DFT calculations and investigation of anticancer properties of carbothioamide and metal (Fe II and Cr III) complexes
Elif Guney
2026-08-01
Unveiling the mechanism of selected steroids targeting G6PD in gastric cancer through computational approaches
-
