| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
A DFT study on the potential application of Si@C24N24 porous fullerene as an innovative and highly active catalyst for NO reduction
|
Hamadi, Hosein
|
|
2019
|
724 |
C |
p. 80-85
|
article
|
| 2 |
Controlling electronic properties of PtS2/InSe van der Waals heterostructure via external electric field and vertical strain
|
Nguyen, Chuong V.
|
|
2019
|
724 |
C |
p. 1-7
|
article
|
| 3 |
Double bond carboxylate ionic liquids for reversible SO2 capture
|
Wei, Liang
|
|
2019
|
724 |
C |
p. 67-72
|
article
|
| 4 |
Editorial Board
|
|
|
2019
|
724 |
C |
p. ii
|
article
|
| 5 |
Electronic and structural properties of vacancy endowed BCN heterostructures
|
dos Santos, Ramiro M.
|
|
2019
|
724 |
C |
p. 103-109
|
article
|
| 6 |
Enhanced morphology and photoelectric properties of one-dimensional TiO2 nanorod array films
|
Deng, Yafeng
|
|
2019
|
724 |
C |
p. 42-49
|
article
|
| 7 |
Enhanced photocatalytic activities of Ag3PO4/GO in tetracycline degradation
|
Wu, Fan
|
|
2019
|
724 |
C |
p. 90-95
|
article
|
| 8 |
Graphical abstract TOC
|
|
|
2019
|
724 |
C |
p. OBC
|
article
|
| 9 |
Graphical abstract TOC
|
|
|
2019
|
724 |
C |
p. IBC
|
article
|
| 10 |
High pressure behavior of mercury difluoride (HgF2)
|
Schyck, Sarah
|
|
2019
|
724 |
C |
p. 35-41
|
article
|
| 11 |
Hybrid carbon dots platform enabling opportunities for desired optical properties and redox characteristics by-design
|
LeCroy, Gregory E.
|
|
2019
|
724 |
C |
p. 8-12
|
article
|
| 12 |
Interaction of amphotericin B with human and bovine serum albumins: A fluorescence polarization study
|
Derdák, Diána
|
|
2019
|
724 |
C |
p. 13-17
|
article
|
| 13 |
Large dual spin-rectifying and high-efficiency dual spin-filtering in cyclooligomeric Mn-phthalocyanine dimer molecular junction
|
Sun, Xiao-Wen
|
|
2019
|
724 |
C |
p. 73-79
|
article
|
| 14 |
Modulating NH-based excited-state intramolecular proton transfer by different electron-donating/withdrawing substituents in 2-(2′-aminophenyl)benzothiazole compounds
|
Yang, Dapeng
|
|
2019
|
724 |
C |
p. 57-66
|
article
|
| 15 |
On the influence of dynamical effects on reactivity descriptors
|
Hoffmann, Guillaume
|
|
2019
|
724 |
C |
p. 24-28
|
article
|
| 16 |
Physical properties and stepwise dissociation of Halon 2402 under external electric field
|
Zhang, Qi-hang
|
|
2019
|
724 |
C |
p. 18-23
|
article
|
| 17 |
Proton acceptor response in hydrogen-bonded XH…WZ (X = F, Cl, Br, FAr, FKr, NC, FCC; WZ = CO, FH, N2) complexes
|
McDowell, Sean A.C.
|
|
2019
|
724 |
C |
p. 110-114
|
article
|
| 18 |
The 13C nuclear magnetic shielding constants at the singlet excited states in CH2CCH2, CH2O, CH3CHO, CH3NH2, and CO
|
Atsumi, Michiko
|
|
2019
|
724 |
C |
p. 86-89
|
article
|
| 19 |
The importance of diffuse functions in basis sets to produce reliable 3D pictures of dual descriptor
|
Martínez-Araya, Jorge I.
|
|
2019
|
724 |
C |
p. 29-34
|
article
|
| 20 |
The Kohn-Sham electronic density of states of liquid HCN: Tuning a long-range corrected exchange-correlation functional for predicting electron binding energies
|
Cabral, Benedito J.C.
|
|
2019
|
724 |
C |
p. 96-102
|
article
|
| 21 |
Theoretical studies on charge transport and optical properties of diarylmaleic anhydride derivatives as organic light-emitting materials
|
Jia, Xubo
|
|
2019
|
724 |
C |
p. 50-56
|
article
|
| 22 |
Theoretical study of aerobic oxidation of alcohols over Au38 nanocluster by a two-step-modeling approach
|
Ato, Yoshinori
|
|
2019
|
724 |
C |
p. 115-121
|
article
|
Journal description