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Natural Bond Orbital (NBO) Population Analysis,First Order Hyperpolarizabilities and Thermodynamic Properties of Cyclohexanone |
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| Authors: | Rubarani P Gangadharan S Sampat H Krishnan |
| Institution: | 1. Department of Physics, Rajalakshmi Engineering College, Thandalam, Chennai 602105，Tamil Nadu, India 2. Department of Applied Physics, Sri Venkateswara College of Engineering, Chennai 602105，Tamil Nadu, India |
| Abstract: | |
| Keywords: | Density functional theory (DFT) Natural Bond Orbital (NBO) Analysis Hyperpolarizability |
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