1 - 7 |
Analysis of polarization in hydrogen bonded complexes: An asymptotic projection approach Drici N |
8 - 11 |
Effect of ionization on the oxidation kinetics of aluminum nanoparticles Zheng YT, He M, Cheng GX, Zhang ZX, Xuan FZ, Wang ZD |
12 - 18 |
Comparison of experimental photonic and refractive index characteristics of the TBADN films with their theoretical counterparts Orek C, Arslan F, Gunduz B, Kaygili O, Bulut N |
19 - 25 |
Fine-tuning blend morphology via alkylthio side chain engineering towards high performance non-fullerene polymer solar cells Li L, Feng LL, Yuan J, Peng HJ, Zou YP, Li YF |
26 - 30 |
Luminescence of the NeI2 van der Waals complex Baturo VV, Lukashov SS, Poretsky SA, Pravilov AM |
31 - 35 |
Magnetic properties of exchange coupled SmCo5/FeCo composite particles synthesized by magnetic self-assembly Ma CT |
36 - 41 |
A quantum mechanical study of the optical response evolution in nanorod dimers Mokkath JH |
42 - 47 |
Consequences of theory level choice evaluated with new tools from QTAIM and the stress tensor for a dipeptide conformer Li JH, Xu TL, Ping Y, van Mourik T, Fruchtl H, Kirk SR, Jenkins S |
48 - 54 |
Chemical oxidative and solid state synthesis of low molecular weight polymers for organic field effect transistors Mahale RY, Dharmapurikar SS, Chini MK |
55 - 60 |
Propafenone effects on the stable structures of A beta(16-22) system Tran L, Ngo ST, Nguyen MT |
61 - 66 |
A computational study of hydrogen-bonded X3CH center dot center dot center dot YZ (X = Cl, F, NC; YZ = FLi, BF, CO, N-2) complexes McDowell SAC |
67 - 69 |
Comments on "Theoretical investigation on H abstraction reaction mechanisms and rate constants of sevoflurane with the OH radical" [Chem. Phys. Lett. 692 (2018) 345-352] Mai TVT, Duong MV, Huynh LK |
70 - 78 |
Imidazole derivatives as angiotensin II AT1 receptor blockers: Benchmarks, drug-like calculations and quantitative structure-activity relationships modeling Alloui M, Belaidi S, Othmani H, Jaidane NE, Hochlaf M |
79 - 85 |
Theoretical kinetics study of the reactions CHClBr plus HBr reversible arrow CH2ClBr + Br, CCl2Br + HBr reversible arrow CHCl2Br + Br and CClBr2 + HBr reversible arrow CHClBr2 + Br Bracco LLB, Tucceri ME, Cobos CJ |
86 - 91 |
Molecular simulations of a CO2/CO mixture in MIL-127 Chokbunpiam T, Fritzsche S, Parasuk V, Caro J, Assabumrungrat S |
92 - 99 |
Novel ZrO2 based ceramics stabilized by Fe2O3, SiO2 and Y2O3 Rada S, Culea E, Rada M |
100 - 105 |
Practical and reliable approximation of nonadiabatic coupling terms between triplet electronic states using only adiabatic potential energies An H, Baeck KK |
106 - 111 |
Instilling exploitable INHIBIT logic gate response for F-/H+ in 'end-off ' anthracene-diamine hybrid by simple functional group manipulation: Experimental study aided by DFT calculations Bhattacharyya A, Makhal SC, Ganguly A, Guchhait N |
112 - 118 |
Chiral organosilica particles and their use as inducers of conformational deracemization of liquid crystal phases Cohen O, Ferris AJ, Adkins R, Lemieux RP, Avnir D, Gelman D, Rosenblatt C |
119 - 124 |
Density functional theory calculations of the non-resonant and resonant X-ray emission spectroscopy of carbon fullerenes and nanotubes Hanson-Heine MWD, George MW, Besley NA |
125 - 134 |
Kinetics of H abstraction and addition reactions of 2,4,4-trimethyl-2-pentene by OH radical Yin GY, Hu EJ, Gao ZH, Yang FY, Huang ZH |
135 - 138 |
Photoactive hybrid nanosystem based on CdS quantum dot and novel diarylethylene photochrome as FRET acceptor Chashchikhin OV, Budyka MF, Gavrishova TN, Nikulin PA |
139 - 143 |
(Li, Na, K)OH hydration bonding thermodynamics: Solution self-heating Sun CQ, Chen JS, Yao C, Liu XJ, Zhang X, Huang YL |