Year: 2025
Type: article
Abstract: A computational investigation of Poly (p–Phenylene), also known as PPP, is presented that analyses vibrational frequencies in normal modes and associated dispersion curves utilizing the field of force defined by Urey–Bradley. In addition, modes corresponding to the regions of high density of states and other characteristic features of dispersion curves such as repulsion and exchange of character are discussed. Conformation sensitive modes of other α–helices are compared. Heat capacity is obtained from the dispersion curves via density of states and it is found in agreement with the reported data.
Source: ChemistrySelect
Authors: Seema Srivastava, Seema Srivastava, Shweta Srivastava, Shweta Srivastava, Gazala Roohi Fatima
Institutions: Integral University, Babu Banarasi Das University
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W4407383897