| Article ID | Journal | Published Year | Pages | File Type | 
|---|---|---|---|---|
| 5394679 | Computational and Theoretical Chemistry | 2012 | 6 Pages | 
Abstract
												⺠Polarizability and chemical hardness are being used to locate transition state (TS). ⺠Polarizability increases to its maximum value at the TS and then decreases. ⺠Chemical hardness decreases to its minimum value at the TS and then increases. ⺠This is computationally less expensive approach to locate TS.
											Related Topics
												
													Physical Sciences and Engineering
													Chemistry
													Physical and Theoretical Chemistry
												
											Authors
												Hasibul Beg, Sankar Prasad De, Sankarlal Ash, Ajay Misra, 
											