Publications

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

  P. Vivek, 

  A. Suvitha, 

  G. Saravana Kumar, 

 M. Rekha, 

  Ananth Steephen, 

R. Arunkumar & 

 A. Suvitha 

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