Citation Index:
List of Paper publications based on the research work
The following papers have been published in the Peer Reviewed International Journals.
1. A. Suvitha ,S. Periandy ,S. Boomadevi , M. Govindarajan “Vibrational frequency analysis, FT-IR, FT- Raman, ab initio, HF and DFT studies, NBO, HOMO–LUMO and electronic structure calculations on pycolinaldehyde oxime” Spectrochimica Acta Part A: 117 (2014) 216–224. Impact factor.3.23. (Q2 Journal)
2. M. Govindarajana, M. Karabacak, A. Suvitha, S. Periandy “FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO–LUMO and electronic structure calculations on 4-chloro-3-nitrotoluene” Spectrochimica Acta Part A 89 (2012)137– 148. Impact factor.3.23 (Q2 Journal)
3. A.Suvitha, S. Periandy, M. Govindarajan and S.Ramanlingam “Vibrational frequency analysis, HF and DFT(B3LYP and B3PW91) studies,HOMO–LUMO and electronic structure calculations on 2-chloro-5- nitropyridine” Asian Journal of physics 23, no 6, (2014) 1069-1078. Impact factor.1.166
4. A.Suvitha, S. Periandy, and M. Govindarajan “Vibrational spectroscopic studies, HOMO–LUMO, NBO, UV and NMR analysis of 4-acetylpyridine” Asian Journal of physics 23, no 6(2014)1053-1062. Impact factor.1.166
5. A.Suvitha, S. Periandy, M. Govindarajan and P.Gayathri “FT-IR, FT-Raman spectra and HF-DFT methods and NBO, HOMO-LUMO and electronic transition studies on 2, 2, 4 trimethyl Pentane”
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 138 (2015)900– 912. Impact factor.3.23. (Q2 Journal)
6. Umadevi M, Suvitha A, Latha K, Rajkumar BJ, Ramakrishnan .v “Spectral investigations of preferential solvation and solute-solvent interactions of 1,4-dimethylamino anthraquinone in CH2Cl2/C2H5OH mixtures”. Spectrochim Acta A Mol Biomol Spectroscopy 67(2007)910-915. Impact factor 3.23. (Q2 Journal)
7. A.Suvitha, S. Periandy, and P.Gayathri “NBO, HOMO–LUMO, UV, NLO, NMR and vibrational analysis of veratrole using FT-IR, FT-Raman, FT-NMR spectra and HF–DFT computational methods” Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 138 (2015) 357–369. Impact factor.3.23. (Q2 Journal)
8. Sudhir M. Hiremath, A. Suvitha, Ninganagouda R. Patilc , Chidanandayya S. Hiremathd, , , Seema S. Khemalapured,Subrat K. Pattanayake, Veerabhadrayya S. Negalurmath, Kotresh Obelannavar, Molecular structure, vibrational spectra, NMR, UV, NBO, NLO, HOMO-LUMO and molecular docking of 2-(4, 6-dimethyl-1-benzofuran-3-yl) acetic acid (2DBAA): Experimental and theoretical approach, Journal of Molecular Structure, 1171 (2018) 362-374 May 2018. Impact factor.2.02 (Q2 Journal)
9. Sudhir M. Hiremath, A. Suvitha, Ninganagouda R. Patil, Chidanandayya S. Hiremath, Seema S. Khemalapure, Subrat K.Pattanayak, Veerabhadrayya S. Negalurmath, Kotresh Obelannavar, Sanja J. Armaković, Stevan, ArmakovićSynthesis of 5-(5-methyl-benzofuran-3-ylmethyl)-3H-[1, 3, 4] oxadiazole-2-thione and investigation of its spectroscopic, reactivity, optoelectronic and drug likeness properties by combined computational and experimental approach. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 205 (2018) 95–110, July 2018. Impact factor.3.23. (Q2 Journal)
10. Suvitha A, Spectral investigations, NLO, NBO, HOMO-LUMO, MEP, ADME parameters of 2-methyl- benzoquinoneUsing quantum computations and CADD technique, AIP Conference Proceedings 2162, 020037 Impact factor.1.2 (2019).
11. A. Suvitha, Insights of structure-based pharmacophore studies and inhibitor design against Gal3 receptor through molecular dynamics simulations, Taylor & Francis / Journal of Biomolecular Structure and Dynamics, IF: 3.22 (2020). (Q2 Journal).
12. A.Suvitha, Quantitative experimental and theoretical research using the DFT technique on the structural, UV, electronic, and FMO properties of Gammaxene 11, 6, 2021, 14240 - 14250 Biointerface Research in Applied Chemistry, Scopus (Elsevier) (Q4) Journal.
13. A.Suvitha, Nonlinear Optical Crystalline Nature Bis (2, 6-Diaminopyridine) Hydrogen Phthalate Nitrate Monohydrate (APPN) : Development and its Phase Matching Nature, Results in Optics 3 (2021) 100075.
14. A.Suvitha, The adsorption of 1-Chloro-1,2,2,2-tetrafluoroethane onto the pristine, Al-, and Ga-doped boron nitride nanosheet", has been accepted for publication in Iranian Journal of Science and Technology, Transactions A: Science(2021).
15. A.Suvitha, Quantum Chemical Studies on Structural, Spectroscopic, Thermochemistry, Photo-physical and Bioactivity Properties of m-Cresol Purple Dye(2021) has been accepted for publication in Biointerface Research in Applied Chemistry, Scopus (Elsevier) (Q4) Journal.
16. T. Murugan a, A. Suvitha b, B. Milton Boaz Crystal growth, structural, optical, mechanical characterization and quantum chemical analysis by DFT of an organic nonlinear optical single crystal 4-Hydroxy pyridinium succinate for photonic and optoelectronic devices Journal of Molecular Structure 1303 137536 2024
17. R. Durgadevi, A. Suvitha, Ananth Steephen & T. Arumanayagam Computational, experimental investigations on efect
of phosphoric acid to enhance the linear and nonlinear optical properties of hexamine p‑nitrophenol crystal
Optical and Quantum Electronics-Q2 56 120 2024
18. Ananth Steephen a, Karuna Saini b, A. Suvitha c, P. Vivek d, T. Arumanayagam e, M. Rekha f, Bradha Madhavan
Investigational, computational explorations on betanin, lycopene, cyanidin, and peonidin organic photo sensitizers for green energy harvesting
Sustainable Energy Technologies and Assessments Q1 60, 103451, 2023
19.Antony Lilly Grace, M. ; Suvitha, A. ; Trilaksana, Herri ; Athikesavan, Venkatraj ; Prathap, Koyada ; Judith Jayarani, A
Temperature-dependent energy storage performance of La2O3 doped (1-x)Bi0.5(Na0.84K0.16)0.5TiO3-xSrTiO3 multifunctional ceramics for piezoelectric sensor applications, Journal of Materials Research (JMRS) Q2, 38(22), 4902-4912, 2023
20 R. Sivaranjani a, A. Suvitha b, Medhansh Garg b, T. Arumanayagam a
Exploring linear and nonlinear optical behaviour of morpholine p-nitrophenol crystal: computational and experimental analysis,Chemical Physics Impact 7, 100363, 2023
21. R. Durgadevi, A. Suvitha, Ananth Steephen & T. Arumanayagam, Computational, experimental investigations on effect of phosphoric acid to enhanced the linear and nonlinear optical properties of hexamine p- nitrophenol crystal, Optical and Quantum Electronics Q2
56
120
2023
7
Hypothetical, investigational explorations on potential metal organic
single crystal Bis (2, 6‑diaminopyridin‑1‑Ium) hexaaquacobalt (II)
disulfatedihydrate
MRS Communications
13
451-459
2023
8
Suhailah Wasman Qader1 · Mehmet Ozdemir2 · Innocent Benjamin3 ·
Chioma M. Chima3 · A. Suvitha4 · Jaquline Chinna Rani5 · Terkumbur E. Gber3 ·
Gugan Kothandan6
Toxicity, Pharmacokinetic Profile, and Compound‑Protein
Interaction Study of Polygonum minus Huds Extract
Applied Biochemistry and Biotechnology-Q2 Journal
23
04499
2023
9
M. A. M. El‑Mansy1,2 · D. Thanmayalaxmi3 · A. Suvitha3 · Herri Trilaksana4
Crystallographic (X rays), Spectroscopic (FT IR, FT Raman, NMR), electronic (NBO, FMOs) and NLO analyses for Zidovudine (ZDV); correlated experimental and theoretical studies
Optical and Quantum Electronics- Q2
55
490
2023
10
Herri Trilaksana1
,Thanmayalaxmi D2 & A Suvitha2
ADMET, Pharmacokinetic and Docking properties of the fungal drug 2- (2, 4-difluorophenyl)-1, 3-bis (1, 2, 4 triazol-1-yl) propan-2-ol by using Quantum computational methods
Indian Journal of Biochemistry and Bio Physics
60
58-64
2023
11
Herri Trilaksana, Thanmayalaxmi Darbhe, Athisaya Raja Suvitha, Rajesh Gangatharan, Anjali Nayak, Paramita Das
New Quantum approach on Epilepsy drug 3'-Aminothymidin based on
Pharmacokinetic, Topological and Molecular docking report-
Bio interface Research in Applied Chemistry
13(5)
432
2023
12
BRADHA MADHAVAN, Suvitha A, Anand Steephen,
Experimental and theoretical validation studies of ASnO3 (A = Ba, Ca, Sr) nano fibers for bioactivity
applications"
International Journal of Nanotechnology.
19(6-11)
554-565
2023
13
BRADHA MADHAVAN,Aruna Suvitha A,Nagaraj, Anand Steephen,
Optimising pharmacokinetics via ADMET, bioactivity of Zr substituted samarium-doped ceria nanomaterials
International Journal of Nanotechnology.
20
512 - 522
2023
14
Mohsen Doust Mohammadi , Hewa Y. Abdullah, Karwan W. Qadir, A.Suvitha
Utilization Of Carbon Based Nanomaterial to Sense Vinyl Chloride in the Gas Phase:
Theoretical Investigation
Diamond and Related Materials /Elsevier
131
109602
2023
15
Satish Kumar Palanisamy 1 , Arun Kumar Udayakumar 2 , Azher M. Abed 3 , Parthasarathy Panchatcharam 4 , Suvitha
Computational, Investigational Explorations on Structural,
Electro-Optic Behavior of Pelargonidin Organic Colorant for
TiO2 Based DSSCs
Symmetry-Q1
15(1)
22
2023
16
A. Suvitha; N. Y. Maharani; Hewa Y. Abdullah; Steephen Ananth; P. Vivek
Experimental and Theoretical Analysis for the Structural, FT-IR, NLO, NBO and RDG Properties of Lindane Using DFT Technique
AIP conference proceedings
2554
050001
2023
17
Suhailah Wasman Qader a,*, A. Suvitha b,
Investigating the physicochemical properties and pharmacokinetics of curcumin employing density functional theory and gastric protection
Chemical Physics Impact
5
100130
2022
18
Mohamed Yahya1 · A. Suvitha.Asmae Bouziani3
Structural, photophysical and optoelectronic activity
of triphenylamine‐based push–pull chromophores:
a theoretical study
Optical and Quantum Electronics
54
816
2022
19
A.Suvitha
Quantum Chemical Studies on Structural, Spectroscopic, Thermochemistry, Photo-physical and Bioactivity Properties of m-Cresol Purple Dye
Bio interface Research in Applied Chemistry
12
1006 - 1021
2022
20
A.Suvitha
On the Viability of Divergent Donor Moieties in Malononitrile-Based Donor-π-Acceptor Photosensitizers for DSSCs: A DFT/TD-DFT Study
Journal of Physical Organic Chemistry
35
4403
2022
21
A.Suvitha
Novel La1−xCaxTi1−yTayO3-δ perovskites with enhanced conductivity for solid oxide fuel cell electrodes
Journal of Alloys and Compounds
915
165370
2022
22
A.Suvitha
Growth, optical, electrical properties and DFT studies on piperidinium 4-nitrophenolate NLO single crystal
Journal of Crystal Growth
582
126512
2022
23
A.Suvitha
Diamond Morphology CuO Nanomaterial’s Elastic properties, ADMET, Optical, Structural Studies, Electrical Conductivity and Antibacterial Activities Analysis
Inorganic and Nano-Metal Chemistry
52
1243-1255
2022
24
A.Suvitha
Exploring the crystal, ft-ir, optical, and nlo properties of 3,4-dichloro-6-ehtyl-6h-pyrano[3,2-c]quinoline-2,5-dione (DCPQ),
Letters in Applied Nano Bio Science
12
14
2022
25
A.Suvitha
Organic hexamine p-nitrophenol crystal: growth, optical, electrical, mechanical and density functional theoretical studies for nonlinear optical applications
optical materials
127
112280
2021
26
A.Suvitha
Boosted electronic, NLO and absorption characteristics for quercetin and taxifolin; comparative experimental and DFT
studies
Journal of Bio interface Research in Applied Chemistry
12
8241 - 8257
2021
27
A.Suvitha
Nonlinear optical studies geometrical descripters, chemical properties and Topology analysis on Tetraethylammonium L-tartarate dihydrate Single Crystal
Journal of Molecular Crystals and Liquid Crystals
6
104-122
2021
28
A.Suvitha
Experimental, computational analysis of Butein and Lanceoletin for natural dye-sensitized solar cells and stabilizing efficiency by IoT
Environment, Development and Sustainability
24,
8807–8822
2021
29
A.Suvitha
Exploring the electronic and optical absorption properties for homo and hetero pyrrole-graphene quantum dots
Journal of Computational Electronics
20,
2387–2402
2021
30
A.Suvitha
Molecular structure, FT Raman, IR, NLO, NBO, HOMO-LUMO analysis, physicochemical descriptors, ADME parameters, pharmacokinetic Bioactivity report on 2, 3, 5, 6 –Tetra Chloro-P- Benzoquinone
Journal of Structural Chemistry
62,
1339–1356
2021
31
A.Suvitha
Boosted electronic, optical and NLO responses of Homo P nanoclusters via conducting polymeric substituents
Computational and theoretical chemistry
1202
113343
2021
32
A.Suvitha
Exploring crystal electronic optical and NLO properties of ethyl 4-(3,4 dimethoxy Phenyl 6 methyl 2 thioxo 1,2,3,4 tetrahydro Pyrimidine 5 carboxalate (MTTHPC)
Optical and Quantum electronics
53
424
2021
33
A. Suvitha
The adsorption of 1-Chloro-1,2,2,2-tetrafluoroethane onto the pristine, Al-, and Ga-doped boron nitride nanosheet
Iranian Journal of Science and Technology
45
1287–1300
2021
34
A Suvitha
Nonlinear Optical Crystalline Nature Bis (2, 6-Diaminopyridine) Hydrogen Phthalate Nitrate
Monohydrate (APPN) : Development and its Phase Matching Nature, Results in Optics
Results in Optics
3
100075
2021
35
A.Suvitha
Quantitative experimental and theoretical research using the DFT technique on the structural, UV, electronic, and FMO properties of Gammaxene
Bio interface Research in Applied Chemistry
11, 6,
14240 - 14250
2021
36
Seshan, G., Kanagasabai, S., Ananthasri, S., Kannappan, B., Suvitha, A., Jaimohan, S.M., Kanagaraj, S., Kothandan, G
Insights of structure-based pharmacophore studies and inhibitor design against Gal3 receptor through molecular dynamics simulations,
Taylor & Francis / Journal of Biomolecular Structure and Dynamics
39
6987-6999
2021
37
A.Suvitha
Spectral investigations, NLO, NBO, HOMO-LUMO, MEP, ADME parameters of 2-methyl benzoquinone Using quantum computations and CADD technique
AIP Conference Proceedings
2162
020037
2019
38
Sudhir M. Hiremath, A. Suvitha, Ninganagouda R. Patil, Chidanandayya S. Hiremath, Seema S. Khemalapure, Subrat K.Patianayak, Veerabhadrayya S. Negalurmath, Kotresh Obelannavar, Sanja J. Armaković, Stevan,
ArmakovićSynthesis of 5-(5-methyl-benzofuran-3-ylmethyl)-3H-[1, 3, 4] oxadiazole-2-thione and investigation of its spectroscopic, reactivity, optoelectronic and drug likeness properties by combined computational and experimental approach
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
205
95–110
2018
39
Sudhir M. Hiremath, A. Suvitha, Ninganagouda R. Patilc , Chidanandayya S. Hiremathd, , , Seema S.
Khemalapured,Subrat K. Patianayake, Veerabhadrayya S. Negalurmath, Kotresh Obelannavar,
Molecular structure,
vibrational spectra, NMR, UV, NBO, NLO, HOMO-LUMO and molecular docking of 2-(4,
6-dimethyl-1-benzofuran-3-yl) acetic acid (2DBAA): Experimental and theoretical approach
Journal of Molecular
Structure
1171
362-374
2018
40
A.Suvitha, S.
Periandy, M. Govindarajan and P.Gayathri
FT-IR, FT-Raman spectra
and HF- DFTmethods and NBO, HOMO-
LUMO and electronic transition studies on 2, 2,
4 trimethyl Pentane
Spectrochimica Acta
Part A: Molecular and Biomolecular Spectroscopy
138
900-912
2015
41
A.Suvitha, S.
Periandy, and
P.Gayathri
NBO, HOMO–LUMO,
UV, NLO, NMR and vibrational analysis of veratrole using FT-IR, FT- Raman, FT-NMR spectra and HF–DFT
Spectrochimica Acta
Part A: Molecular and Biomolecular Spectroscopy
138
357-369
2015
42
A. Suvitha ,S.
Periandy ,S. Boomadevi , M. Govindarajan
Vibrational frequency
analysis, FT-IR, FT- Raman, ab initio, HF and DFT studies, NBO, HOMO–LUMO and electronic structure calculations on pycolinaldehyde oxime
Spectrochimica Acta
Part A: Molecular and Biomolecular Spectroscopy
117
216-224
2014
43
A.Suvitha, S.
Periandy, M.
Govindarajan and S.Ramanlingam
Vibrational frequency
analysis, HF and
DFT(B3LYP and B3PW91)
studies,HOMO–LUMO and electronic structure calculations on 2-chloro-5-
nitropyridine
Asian Journal of
physics
23,6
1069-1078
2014
44
A.Suvitha, S.
Periandy, and M. Govindarajan
Vibrational spectroscopic
studies, HOMO–LUMO, NBO, UV and NMR analysis of 4-acetylpyridine
Asian Journal of
physics
23,6
1053-1062
2014
45
M.Govindarajan
a, M.
Karabacak, A. Suvitha, S. Periandy
FT-IR, FT-Raman, ab
initio, HF and DFT
studies, NBO, HOMO– LUMO and electronic structure calculations on 4- chloro-3-nitrotoluene
Spectrochimica Acta
Part A: Molecular
and Biomolecular
Spectroscopy
89
137-148
2012
46
Umadevi M,
Suvitha A, Latha K, Rajkumar BJ, Ramakrishnan .v
Spectral investigations of
preferential solvation and solute-solvent interactions of 1,4-dimethylamino anthraquinone in CH2Cl2/C2H5OH
mixtures
Spectrochimica Acta
Part A: Molecular and Biomolecular Spectroscopy
67
(3-4):910-
915
2007
41. Toxicity, Pharmacokinetic Profile, and Compound Protein Interaction Study of Polygonum minus Huds Extract, Applied Biochemistry and Biotechnology-Q2 Journal,May 2023, https://doi.org/10.1007/s12010-023-04499-6
42.Hypothetical, investigational explorations on potential metal organic single crystal Bis (2, 6 diaminopyridin 1
Ium) hexaaquacobalt (II) disulfatedihydrate, MRS Communications(Q2 Journal), June 2023,
https://doi.org/10.1557/s43579-023-00372-z
43. Understanding the adsorption behavior of C2H3Cl on pristine, Al-, and Ga-doped boron nitride nanosheets MD Mohammadi, HY Abdullah, KW Qadir, A Suvitha, Computational and Theoretical Chemistry 1229, 114318,2023
67. Temperature-dependent energy storage performance of La2O3-doped(1−x) Bi0.5(Na0.84K0.16)0.5TiO3–xSrTiO3 multifunctional ceramics for …M Antony Lilly Grace, A Suvitha, H Trilaksana, V Athikesavan, K Prathap, ...
Journal of Materials Research 38 (22), 4902-4912, 2023
68. Investigational, computational explorations on betanin, lycopene, cyanidin, and peonidin organic photo sensitizers for green energy harvesting A Steephen, K Saini, A Suvitha, P Vivek, T Arumanayagam, M Rekha, ...
Sustainable Energy Technologies and Assessments 60, 103451, 2023
69. Exploring linear and nonlinear optical behaviour of morpholine p-nitrophenol crystal: Computational and experimental analysis
R Sivaranjani, A Suvitha, M Garg, T Arumanayagam, 2023
Chemical Physics Impact 7, 100363
70. Novel ibuprofen prodrug: A possible promising agent for the management of complications of Alzheimer’s disease
A Nayak, R Raju, P Das, K Das, A Suvitha, BR Meher, S Alobid, ...
Saudi Pharmaceutical Journal 32 (1), 101888, 2024
71. Computational, experimental investigations on effect of phosphoric acid to enhance the linear and nonlinear optical properties of hexamine p-nitrophenol crystal R Durgadevi, A Suvitha, A Steephen, T Arumanayagam
Optical and Quantum Electronics 56 (1), 120, 2024
72. Quantum Computational and Spectroscopic Investigation (UV), МЕР, НОМO-LUMO, Pharmacokinetic Studies of Meloxicam: A DFT Study, D Thanmayalaxmi, A Suvitha, P Sakthivel, N Alharbi, S Florence, ...Proceedings of the 1st International Conference on Recent Advancements, 2024
73. Ibuprofen with Amino Acid Dipeptide Conjugation: A Novel Prodrug for the Management of Alzheimer's Disease Complications A Nayak, R Raju, P Das, S Alobid, K Das, A Suvitha, D Barik, AI Almoteer, ...INTERNATIONAL JOURNAL OF PHARMACOLOGY 20 (1), 62-71, 2024
74. Quantum Computational and Spectroscopic Investigation (UV), MEP, HOMO-LUMO, Pharmacokinetic Studies of Meloxicam: A DFT StudyD Thanmayalaxmi, A Suvitha, P Sakthivel, N Alharbi, S Florence, ...International Conference on Recent Advancements in Materials Science , 2024
75. FT-IR, UV, NMR, Spectral Examinations Report of 2-(2, 4-Difluorophenyl)-1, 3-Bis-(1, 2, 4-Triazol-1-yl) Propan-2-ol on the Basis of Boosting Electric and Optical Properties …H Trilaksana, B Rohini, D Thanmayalaxmi, A Suvitha, MAM El-Mansy, ...
International Conference on Recent Advancements in Materials Science 2024
76. Toxicity, Pharmacokinetic Profile, and Compound-Protein Interaction Study of Polygonum minus Huds Extract
SW Qader, M Ozdemir, I Benjamin, CM Chima, A Suvitha, JC Rani, ...Applied Biochemistry and Biotechnology 196 (5), 2425-2450, 2024
77. Crystal growth, structural, optical, mechanical characterization and quantum chemical analysis by DFT of an organic nonlinear optical single crystal 4-Hydroxy pyridinium ,T Murugan, A Suvitha, BM Boaz Journal of Molecular Structure 1303, 137536, 2024
78. Enhancing the corrosion resistance of mild steel coated zinc studies JS Kavirajwar, A Suvitha, H Trilaksana, H Alzahrani, N Alharbi, H Siddiq, .Measurement: Sensors 34, 101264, 2024
79. Experimental and DFT perspectives: exploring spectral, linear and nonlinear optical properties of p-nitrophenol complex crystal for NLO applications R Sivaranjani, A Suvitha, N Alharbi, T Arumanayagam Journal of Materials Science: Materials in Electronics 35 (27), 1796. 2024
80. Optimization of Thermal and Rheological Performance in Non-Polar Binary Fluids Using Hybrid CuO Nanoparticles
B Rohini, AKS Jeevaraj, A Suvitha, R Sangeetha, V Revathi, Journal of Physics: Conference Series 2886 (1), 012010, 2024
81. Investigation of Dielectric Behavior of CuO Nanofluids with Mixed Alcohol-Amine Solvents: Butanol-Diethylamine and Isopropanol-Diethylamine B Rohini, AKS Jeevaraj, A Suvitha, P Prakash, V Revathi Journal of Physics: Conference Series 2886 (1), 012009, 2024
82. Investigation on synthesis, crystal growth, structure, NLO properties, and computational studies of an inorganic-organic hybrid material: Tetrabromo zincate (II) piperazinium K Boopathi, A Suvitha, R Jagan, P Ramasamy
Inorganic Chemistry Communications 172, 113620. 2025
83. Comprehensive overview of the toxicities of small-molecule cryoprotectants for carnivorous spermatozoa: foundation for computational cryobiotechnology, I Karimi, LJ Mohammad, A Suvitha, Z Haidari, HB Schiöth
Frontiers in Toxicology 7, 1477822, 2025
Book chapter Publication
1. A computational effort to deciphering putative COVID-19 3C-like protease binders in the selected recipes of Kurdish ethnomedicine: An approach to find an antiviral functional tea. Halgurd Nadhim Mohammeda , Layth Jasim Mohammedb, Isaac Karimib , A. Suvitha, Functional Food Center / Functional Food Health Institute(FFHD), USA. (2020), Scopus.
2. FT-IR, UV, NMR, Spectral Examinations Report of 2-(2,4-Difluorophenyl)-1,3-Bis-(1,2,4-Triazol-1-yl) Propan-2-ol on the Basis of Boosting Electric and Optical Properties Using DFT, Springer nature Book, https://link.springer.com/book/10.1007/978-3-031-69970-2
3. Quantum Computational and Spectroscopic Investigation (UV), MEP, HOMO-LUMO, Pharmacokinetic Studies of Meloxicam: A DFT Study, Springer nature Book, https://link.springer.com/book/10.1007/978-3-031-69970-2