Journals

Details of publications by Faculty members of Chitkara University, Punjab

Journals Year - 2025

In Silico design and molecular dynamics analysis of imidazole derivatives as selective cyclooxygenase-2 inhibitors

Journal Name    Computational Biology and Chemistry
Year of Publication    2025
Authors Name    Saadh M.J.; Ahmed H.H.; Kareem R.A.; Jain V.; Ballal S.; Singh A.; Sharma G.C.; Devi A.; Nasirov A.; Sameer H.N.; Yaseen A.; Athab Z.H.; Adil M.
School/College Name    Centre for Research Impact & Outcome
Department Name    CRIO
DOI Number    10.1016/j.compbiolchem.2025.108341

Theoretical investigation of Al-doped biphenylene as efficient sensor for phosgene detection

Journal Name    Computational and Theoretical Chemistry
Year of Publication    2025
Authors Name    Ali A.B.M.; Ahmed A.T.; Rusho M.A.; Mayani S.V.; Ballal S.; Kalia R.; Shomurotova S.; Kavitha V.; Ray S.; Naglah A.M.
School/College Name    Centre for Research Impact & Outcome
Department Name    CRIO
DOI Number    10.1016/j.comptc.2025.115237

Tuning the electronic and adsorption properties of MoSe2 nanosheets by CuO, NiO and pair CuO-NiO metal oxide doping for efficient sensing of caffeine molecule: A DFT study

Journal Name    Computational and Theoretical Chemistry
Year of Publication    2025
Authors Name    Altalbawy F.M.A.; Al-Hasnaawei S.; Kanjariya P.; Kumar A.; Rajiv A.; Shit D.; Albert H.M.; Pokhriyal S.
School/College Name    Centre for Research Impact & Outcome
Department Name    CRIO
DOI Number    10.1016/j.comptc.2025.115234

Investigation of the detection of Thioguanine anti-cancer drug by using of X12O12 (X = mg, Zn) nanocage

Journal Name    Computational and Theoretical Chemistry
Year of Publication    2025
Authors Name    Chyad M.H.; Ahmed A.T.; Sanghvi G.; Ganesan S.; Shankhyan A.; Krithiga T.; Kubaev A.; Panigrahi R.; Mahal A.; Alotaibi H.F.
School/College Name    Centre for Research Impact & Outcome
Department Name    CRIO
DOI Number    10.1016/j.comptc.2025.115270

Development of SiC monolayer for detection of SO3 and NF3 hazardous gases based on DFT calculations

Journal Name    Computational and Theoretical Chemistry
Year of Publication    2025
Authors Name    Rusho M.A.; Kanjariya P.; Rajiv A.; Suleman A.D.; Kareem R.A.; Abdulaali H.S.; Idan A.H.; Shankhyan A.; Omran A.A.
School/College Name    Centre for Research Impact & Outcome
Department Name    CRIO
DOI Number    10.1016/j.comptc.2024.115045

?DFT study of the adsorption of temozolamide anticancer drugs on the TM-adsorbed WSe2 nanocarriers: Applications to drug delivery systems

Journal Name    Computational and Theoretical Chemistry
Year of Publication    2025
Authors Name    M. A. Altalbawy F.; Abdul-Reda Hussein U.; krishna saraswat S.; Baldaniya L.; Rekha M.M.; Guntaj J.; Gupta A.; Sabah Ghnim Z.; Fawzi Al-Hussainy A.; jasim al-shuwaili S.; Faez Sead F.
School/College Name    Centre for Research Impact & Outcome
Department Name    CRIO
DOI Number    10.1016/j.comptc.2024.114974

Computational insights into B12N12 nanocage as a promising carrier for mesalazine delivery: a DFT study

Journal Name    Computational Biology and Chemistry
Year of Publication    2025
Authors Name    Zamani A.; Khelef A.; Patel P.; Ezhilarasan G.; Ansar K.; SINGLA S.I.Y.A.; Sahu B.N.; Shah S.K.; SasiKiran P.
School/College Name    Centre for Research Impact & Outcome
Department Name    CRIO
DOI Number    10.1016/j.compbiolchem.2025.108585

A computational investigation of monolayer HB: Effective NH3 gas sensor with highly ?sensor response

Journal Name    Computational Biology and Chemistry
Year of Publication    2025
Authors Name    Ali A.B.M.; Theab E.Y.; Norberdiyeva M.; Kanjariya P.; Ballal S.; Gautam A.; Ray S.; Sinha A.; Shakir M.; Naglah A.M.; Muzammil K.
School/College Name    Centre for Research Impact & Outcome
Department Name    CRIO
DOI Number    10.1016/j.compbiolchem.2025.108531

Potential application of BC2N monolayer as an anode for K-ion batteries: A theoretical study

Journal Name    Computational and Theoretical Chemistry
Year of Publication    2025
Authors Name    Abdulameer M.H.; Hammad A.K.; Mahariq I.; Kanjariya P.; Rajiv A.; Shankhyan A.; Albert H.M.; Manu M.; Shakir M.; Alkahtani H.M.
School/College Name    Centre for Research Impact & Outcome
Department Name    CRIO
DOI Number    10.1016/j.comptc.2025.115374

Tailoring the adsorption properties of iridium and osmium cluster functionalized WSe2 nanosheets towards NO2, SO2 and SO2F2 molecules: A DFT study

Journal Name    Computational and Theoretical Chemistry
Year of Publication    2025
Authors Name    Faez F.; Formanova S.; Patel P.; Venkadeshwaran K.; PUROHIT B.; Thatoi D.N.; Bisht Y.S.; Subrahmanyam V.S.; Abd B.; Ahmed A.M.
School/College Name    Centre for Research Impact & Outcome
Department Name    CRIO
DOI Number    10.1016/j.comptc.2025.115305
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