| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Adsorption and diffusion properties of tobacco composition and additive: a multiscale theoretical study
|
Xia, Qian
|
|
|
143 |
1 |
|
article
|
| 2 |
A new anticancer derivative of the natural alkaloid, theobromine, as an EGFR inhibitor and apoptosis inducer
|
Eissa, Ibrahim H.
|
|
|
143 |
1 |
|
article
|
| 3 |
A theoretical method to assess cyclability of intercalation electrode materials using DFT
|
Yousefi-Mashhour, Hatef
|
|
|
143 |
1 |
|
article
|
| 4 |
Computational analysis of photoisomerization of unsubstituted spirooxazine by TD-DFT: solvent effect and functional choice
|
Galimov, Emil R.
|
|
|
143 |
1 |
|
article
|
| 5 |
Computational insight of repurpose drug for treatment of COVID-19: a CDFT approach
|
Ranjan, Prabhat
|
|
|
143 |
1 |
|
article
|
| 6 |
Enthalpy of formation of sodium, magnesium and lithium compounds with composite methods
|
de Souza Silva, Cleuton
|
|
|
143 |
1 |
|
article
|
| 7 |
Investigation of the [3 + 2] cycloaddition reaction of 3-phenacylbenzothiazolium ylide and 3-nitrochromene using molecular electron density theory
|
Soleymani, Mousa
|
|
|
143 |
1 |
|
article
|
| 8 |
The linear response function as a descriptor of non-covalent interactions: hydrogen and halogen bonds
|
Geerlings, Paul
|
|
|
143 |
1 |
|
article
|
| 9 |
Theoretical study of the stability and reactivity of nitro-coumarins and amino-coumarins by DFT method
|
Bouhaoui, Abderrazzak
|
|
|
143 |
1 |
|
article
|
| 10 |
Uncovering the mechanism of selective stabilization of high-energy diastereoisomers via inclusion
|
Oakley, Meagan S.
|
|
|
143 |
1 |
|
article
|
Journal description