1. Comparative Study of Molecular Docking, Structural, Electronic, and Fukui Function Studies on Favipiravir and its Newly Designed Derivatives (Potential Inhibitors) for COVID‐19 Protease. Issue 1 (23rd February 2023) Authors: Pandey, Anoop Kumar; Singh, Vijay; Dwivedi, Apoorva Journal: Macromolecular symposia Issue: Volume 407:Issue 1(2023) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Comparative Study of Molecular Docking, Structural, Electronic, Vibrational Spectra and Fukui Function Studies of Thiadiazole Containing Schiff Base – A Complete Density Functional Study. (31st December 2021) Authors: Pandey, Anoop Kumar; Baboo, Vikas; Mishra, Vijay Narayan; Singh, V. K.; Dwivedi, Apoorva Journal: Polycyclic aromatic compounds Issue: Volume 42:Number 1(2022) Page Start: 13 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Density functional theory study on the molecular structure of loganin. Issue 6 (2011) Authors: Pandey, Anoop Kumar; Siddiqui, Shamoon Ahmad; Dwivedi, Apoorva; Raj, Kanwal; Misra, Neeraj Journal: Spectroscopy Issue: Volume 25:Issue 6(2011) Page Start: 287 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Frequency Response and Power Dissipation of RC Coupled CE Amplifier by Using Series and Parallel Network of Like Transistors. Issue 1 (23rd February 2023) Authors: Tiwari, Satyendra Nath; Khadarabad, Ghouse Mohiuddin; Pandey, Anoop Kumar; Dwivedi, Apoorva; Pandey, Shri Prakash; Singh, Vijay Journal: Macromolecular symposia Issue: Volume 407:Issue 1(2023) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Isolation, Identification, Molecular and Electronic Structure, Vibrational Spectroscopic Investigation, and Anti-HIV-1 Activity of Karanjin Using Density Functional Theory. (7th May 2014) Authors: Pandey, Anoop kumar; Bajpai, Abhishek Kumar; Kumar, Ashok; Pal, Mahesh; Baboo, Vikas; Dwivedi, Apoorva Other Names: Verli Hugo Academic Editor. Journal: Journal of theoretical chemistry Issue: Volume 2014(2014) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Molecular Docking and Comparative Vibrational Spectroscopic Analysis, HOMO-LUMO, Polarizabilities, and Hyperpolarizabilities of N-(4-Bromophenyl)-4-Nitrobenzamide by Different DFT (B3LYP, B3PW91, and MPW1PW91) Methods. (7th February 2021) Authors: Dwivedi, Apoorva; Kumar, Abhishek Journal: Polycyclic aromatic compounds Issue: Volume 41:Number 2(2021) Page Start: 387 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Molecular Docking of a Bio Material [1-{[(Z)-Cyclopentylidene] Amino}-3-Phenylthiourea] by First Principles Study. (14th September 2021) Authors: Pandey, Anoop Kumar; Shukla, D. V.; Singh, Prashant; Dwivedi, Apoorva Journal: Polycyclic aromatic compounds Issue: Volume 41:Number 8(2021) Page Start: 1667 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Quantum Mechanical Study on the Structure and Vibrational Spectra of Cyclobutanone and 1, 2-Cyclobutanedione. (18th October 2012) Authors: Pandey, Anoop kumar; Dwivedi, Apoorva; Misra, Neeraj Other Names: Ruman Tomasz Academic Editor. Journal: Journal of spectroscopy Issue: Volume 2013(2013) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Structural, Electronic, and Vibrational Properties of Isoniazid and Its Derivative N-Cyclopentylidenepyridine-4-carbohydrazide: A Quantum Chemical Study. (24th February 2014) Authors: Pandey, Anoop kumar; Bajpai, Abhishek; Baboo, Vikas; Dwivedi, Apoorva Other Names: Sabin John R. Academic Editor. Journal: Journal of theoretical chemistry Issue: Volume 2014(2014) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Time‐Dependent Density Functional Theory, AIM Analysis, NLO, and Thermodynamic Properties of Propofol and Adsorption Effects of Propofol Drug over Carbon Nanotube (C56H16) as the Factor of Drug Delivery System. Issue 1 (23rd February 2023) Authors: Dwivedi, Apoorva; Narayan, Vijay; Singh, Vijay; Singh, Vinod Kumar; Pandey, Anoop Kumar Journal: Macromolecular symposia Issue: Volume 407:Issue 1(2023) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗