Manikandan Paranjothy

Chemical Dynamics Simulations of X^– + CH₃Y → XCH₃ + Y^– Gas-Phase S_N2 Nucleophilic Substitution Reactions. Nonstatistical Dynamics and Nontraditional Reaction Mechanisms

Manikandan Paranjothy, Jiaxu Zhang, William L. Hase · The Journal of Physical Chemistry A · 2012 · 155 citations

Engineering, Non-rrkm Kinetics, Molecular Biology +19

Direct chemical dynamics simulations: coupling of classical and quasiclassical trajectories with electronic structure theory

Manikandan Paranjothy, Rui Sun, Yu Zhuang et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2012 · 113 citations

Quantum Dynamic, Engineering, Computational Chemistry +20

Growth and NO2 gas sensing mechanisms of vertically aligned 2D SnS2 flakes by CVD: Experimental and DFT studies

Ashok Kumar, Neelu Sharma, Akash Gutal et al. · Sensors and Actuators B Chemical · 2021 · 69 citations

Sns2 Flakes, Engineering, Physics +10

Star-Shaped ESIPT-Active Mechanoresponsive Luminescent AIEgen and Its On–Off–On Emissive Response to Cu²⁺/S^2–

Balamurugan Tharmalingam, Moorthy Mathivanan, Ganesh Dhamodiran et al. · ACS Omega · 2019 · 59 citations · Full text

Gas-Phase Chemical Dynamics Simulations on the Bifurcating Pathway of the Pimaradienyl Cation Rearrangement: Role of Enzymatic Steering in Abietic Acid Biosynthesis

Matthew R. Siebert, Manikandan Paranjothy, Rui Sun et al. · Journal of Chemical Theory and Computation · 2012 · 53 citations

Bioorganic Chemistry, Engineering, Pimaradienyl Cation Rearrangement +19