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Manikandan Paranjothy - Publications

Affiliations: 
IIT Jodhpur 
Area:
Theoretical Chemistry
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21 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Mali G, Kumar Yadav V, Priya H, Shukla M, Pandey P, Kumar A, Paranjothy M, Bhattacharyya S, Erande RD. The rapid construction and biological evaluation of densely substituted pyrrolo[1,2-]indoles a BF·OEt-assisted cascade approach. Organic & Biomolecular Chemistry. 21: 9659-9668. PMID 38038241 DOI: 10.1039/d3ob01457f  0.351
2023 Gutal A, Paranjothy M. Direct chemical dynamics simulations of CN + CHI bimolecular nucleophilic substitution reaction. Physical Chemistry Chemical Physics : Pccp. 25: 15015-15022. PMID 37211926 DOI: 10.1039/d3cp01849k  0.5
2023 Priya H, Paranjothy M. Collision Induced Dissociation of Deprotonated Isoxazole and 3-Methyl Isoxazole via Direct Chemical Dynamics Simulations. Journal of the American Society For Mass Spectrometry. 34: 710-719. PMID 36951239 DOI: 10.1021/jasms.2c00366  0.476
2022 Rashmi R, Yadav PK, Seal A, Paranjothy M, Lourderaj U. E-Z Isomerization in Guanidine: Second-order Saddle Dynamics, Non-statisticality, and Time-frequency Analysis. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 36205532 DOI: 10.1002/cphc.202200640  0.647
2022 Paranjothy M. Theoretical Investigation of Dissociation Intramolecular Rearrangements in Aminohydroxymethylene. The Journal of Physical Chemistry. A. 126: 6927-6933. PMID 36130264 DOI: 10.1021/acs.jpca.2c04950  0.451
2021 Rashmi R, Yadav K, Lourderaj U, Paranjothy M. Second-order Saddle Dynamics in Isomerization Reaction Regular and Chaotic Dynamics. 26: 119-130. DOI: 10.1134/S1560354721020027  0.658
2021 Naz EG, Paranjothy M. Theoretical studies of unimolecular decomposition of thiophene at high temperatures Electronic Structure. 3: 045003. DOI: 10.1088/2516-1075/ac391f  0.301
2021 Gahlaut A, Paranjothy M. Chemical dynamics simulations of collision induced dissociation of deprotonated glycolaldehyde International Journal of Mass Spectrometry. 459: 116468. DOI: 10.1016/j.ijms.2020.116468  0.461
2020 Gahlaut A, Paranjothy M. Theoretical investigation of the dissociation chemistry of formyl halides in the gas phase. Physical Chemistry Chemical Physics : Pccp. 22: 20069-20077. PMID 32936135 DOI: 10.1039/d0cp02126a  0.49
2020 Naz EG, Paranjothy M. Unimolecular Dissociation of γ-Ketohydroperoxide via Direct Chemical Dynamics Simulations. The Journal of Physical Chemistry. A. 124: 8120-8127. PMID 32930591 DOI: 10.1021/acs.jpca.0c06211  0.511
2020 Godara S, Radhakrishnan A, Paranjothy M. Chemical Dynamics Simulations of Curtius Reaction of Acetyl- and Fluorocarbonyl Azides. The Journal of Physical Chemistry. A. PMID 32668155 DOI: 10.1021/acs.jpca.0c04366  0.342
2019 Godara S, Paranjothy M. Competing Molecular and Radical Pathways in the Dissociation of Halons via Direct Chemical Dynamics Simulations. The Journal of Physical Chemistry. A. 123: 8527-8535. PMID 31539256 DOI: 10.1021/acs.jpca.9b06564  0.445
2019 Sindhu A, Pradhan R, Lourderaj U, Paranjothy M. Theoretical investigation of the isomerization pathways of diazenes: torsion vs. inversion. Physical Chemistry Chemical Physics : Pccp. PMID 31271157 DOI: 10.1039/C8Cp05953E  0.622
2018 Naz EG, Godara S, Paranjothy M. Direct Chemical Dynamics Simulations of H + CO Bimolecular Reaction. The Journal of Physical Chemistry. A. 122: 8497-8504. PMID 30350635 DOI: 10.1021/acs.jpca.8b08671  0.481
2018 Gahlaut A, Paranjothy M. Unimolecular decomposition of formamide via direct chemical dynamics simulations. Physical Chemistry Chemical Physics : Pccp. PMID 29537030 DOI: 10.1039/c8cp00541a  0.387
2017 Godara S, Verma P, Paranjothy M. Dissociation Chemistry of 3-Oxetanone in the Gas Phase. The Journal of Physical Chemistry. A. PMID 28820586 DOI: 10.1021/acs.jpca.7b06880  0.425
2017 Krishnan Y, Sharma N, Lourderaj U, Paranjothy M. Classical Dynamics Simulations of Dissociation of Protonated Tryptophan in the Gas Phase. The Journal of Physical Chemistry. A. PMID 28537746 DOI: 10.1021/Acs.Jpca.7B01359  0.629
2013 Paranjothy M, Sun R, Paul AK, Hase WL. Models for intrinsic Non-RRKM dynamics. Decomposition of the SN2 Intermediate Cl--CH3Br Zeitschrift Fur Physikalische Chemie. 227: 1361-1379. DOI: 10.1524/Zpch.2013.0414  0.605
2013 Paranjothy M, Sun R, Zhuang Y, Hase WL. Direct chemical dynamics simulations: Coupling of classical and quasiclassical trajectories with electronic structure theory Wiley Interdisciplinary Reviews: Computational Molecular Science. 3: 296-316. DOI: 10.1002/Wcms.1132  0.673
2013 Paranjothy M, Sun R, Zhuang Y, Hase WL. ChemInform Abstract: Direct Chemical Dynamics Simulations: Coupling of Classical and Quasiclassical Trajectories with Electronic Structure Theory Cheminform. 44: no-no. DOI: 10.1002/CHIN.201348274  0.397
2012 Paranjothy M, Siebert MR, Hase WL, Bachrach SM. Mechanism of thiolate-disulfide exchange: addition-elimination or effectively S(N)2? Effect of a shallow intermediate in gas-phase direct dynamics simulations. The Journal of Physical Chemistry. A. 116: 11492-9. PMID 23116226 DOI: 10.1021/Jp307795J  0.649
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