1 - 7 |
Controlling electronic properties of PtS2/InSe van der Waals heterostructure via external electric field and vertical strain Nguyen CV, Bui HD, Nguyen TD, Pham KD |
8 - 12 |
Hybrid carbon dots platform enabling opportunities for desired optical properties and redox characteristics by-design LeCroy GE, Wang P, Bunker CE, Fernando KAS, Liang WX, Ge L, Reibold M, Sun YP |
13 - 17 |
Interaction of amphotericin B with human and bovine serum albumins: A fluorescence polarization study Derdak D, Poor M, Kunsagi-Mate S, Lemli B |
18 - 23 |
Physical properties and stepwise dissociation of Halon 2402 under external electric field Zhang QH, Liu YZ, Yin WY, Zhu RS, Yan YH, Ding PF, Abulimiti B |
24 - 28 |
On the influence of dynamical effects on reactivity descriptors Hoffmann G, Tognetti V, Joubert L |
29 - 34 |
The importance of diffuse functions in basis sets to produce reliable 3D pictures of dual descriptor Martinez-Araya JI |
35 - 41 |
High pressure behavior of mercury difluoride (HgF2) Schyck S, Evlyukhin E, Kim E, Pravica M |
42 - 49 |
Enhanced morphology and photoelectric properties of one-dimensional TiO2 nanorod array films Deng YF, Ma ZH, Ren FZ, Wang GX, Volinsky AA |
50 - 56 |
Theoretical studies on charge transport and optical properties of diarylmaleic anhydride derivatives as organic light-emitting materials Jia XB, Wei HL, Shi YR, Liu YF |
57 - 66 |
Modulating NeH-based excited-state intramolecular proton transfer by different electron-donating/withdrawing substituents in 2-(2 '-aminophenyl) benzothiazole compounds Yang DP, Zhang TJ, Jia M, Cheng SB |
67 - 72 |
Double bond carboxylate ionic liquids for reversible SO2 capture Wei L, Wang YL, Fan ZJ, Wang RJ, Wang Y, Chen JQ, Xu Y |
73 - 79 |
Large dual spin-rectifying and high-efficiency dual spin-filtering in cyclooligomeric Mn-phthalocyanine dimer molecular junction Sun XW, Zhao P |
80 - 85 |
A DFT study on the potential application of Si@C24N24 porous fullerene as an innovative and highly active catalyst for NO reduction Hamadi H, Shakerzadeh E, Esrafili MD |
86 - 89 |
The C-13 nuclear magnetic shielding constants at the singlet excited states in CH2CCH2, CH2O, CH3CHO, CH3NH2, and CO Atsumi M |
90 - 95 |
Enhanced photocatalytic activities of Ag3PO4/GO in tetracycline degradation Wu F, Zhou F, Zhu ZY, Zhan S, He QC |
96 - 102 |
The Kohn-Sham electronic density of states of liquid HCN: Tuning a long-range corrected exchange-correlation functional for predicting electron binding energies Cabral BJC |
103 - 109 |
Electronic and structural properties of vacancy endowed BCN heterostructures dos Santos RM, de Aguiar AL, Ribeiro LA, Martins JD |
110 - 114 |
Proton acceptor response in hydrogen-bonded XH ... WZ (X = F, Cl, Br, FAr, FKr, NC, FCC; WZ = CO, FH, N-2) complexes McDowell SAC |
115 - 121 |
Theoretical study of aerobic oxidation of alcohols over Au-38 nanocluster by a two-step-modeling approach Ato Y, Hayashi A, Koga H, Kawakami T, Yamanaka S, Okumura M |