1 - 5 |
A comparative study of oxygen-doped and pure beryllium clusters based on structural, energetic and electronic properties Li JY, Wu D, Li Y, Li ZR |
6 - 10 |
On the identity of the last known stable radical in X-irradiated sucrose Kusakovskij J, De Cooman H, Sagstuen E, Callens F, Vrielinck H |
11 - 27 |
Spectroscopic and DFT-based computational studies on the molecular electronic structural characteristics and the third-order nonlinear property of an organic NLO crystal: (E)-N'-(4-chlorobenzylidene)-4-methylbenzenesulfonohydrazide Sasikala V, Sajan D, Joseph L, Balaji J, Prabu S, Srinivasan P |
28 - 32 |
Error propagation in first-principles kinetic Monte Carlo simulation Dopking S, Matera S |
33 - 37 |
Path integral molecular dynamics at zero thermal temperature Willow SY |
38 - 41 |
Magneto-chiral dichroism measurements using a pulsed electromagnet Hattori S, Yamamoto Y, Miyatake T, Ishii K |
42 - 47 |
SnO2 nanosheets/g-C3N4 composite with improved lithium storage capabilities Vo V, Thi XDN, Jin YS, Thi GL, Trung NT, Quang DT, Kim SJ |
48 - 57 |
Investigating the intersystem crossing rate and triplet quantum yield of Protoporphyrin IX by means of pulse train fluorescence technique Gotardo F, Cocca LHZ, Acunha TV, Longoni A, Toldo J, Goncalves PFB, Iglesias BA, De Boni L |
58 - 63 |
Internal and translational energy partitioning of the NO product in the S-2 photodissociation of methyl nitrite Sumida M, Masumoto S, Kato M, Yamasaki K, Kohguchi H |
64 - 70 |
Accessing the structural and thermodynamic properties of ultra-thin layers of C32 adsorbed on a SiO2 surface Gutierrez-Maldonado SE, Garate JA, Retamal MJ, Cisternas MA, Volkmann UG, Perez-Acle T |
71 - 76 |
Intermolecular vibrations and vibrational dynamics of a phenol. . .methanol binary complex studied by LIF spectroscopy Mukhopadhyay DP, Biswas S, Chakraborty T |
77 - 85 |
An automated exploration of the isomerization and dissociation pathways of (E)-1,2-dichloroethene cations and anions Kishimoto N, Nishi Y |
86 - 89 |
Spectroscopic analysis of 1-butyl-2,3-dimethylimidazolium ionic liquids: Cation-anion interactions Men S, Jiang J, Licence P |
90 - 97 |
Solvent dependence of laser-synthesized blue-emitting Si nanoparticles: Size, quantum yield, and aging performance Xin YZ, Kitasako T, Maeda M, Saitow K |
98 - 102 |
New forcefield for water nanodroplet on a graphene surface Wloch J, Terzyk AP, Kowalczyk P |
103 - 108 |
A quantum-classical study of the OH + H-2 reactive and inelastic collisions Marti C, Pacifici L, Lagana A, Coletti C |
109 - 114 |
Diphenylamino-substituted bicarbazole derivative: Hole-transporting material with high glass-transition temperature, good electron and triplet exciton blocking capabilities and efficient hole injection Chen SY, Jiang S, Yu H |
115 - 119 |
Strong p-magnetism in carbon suboxide C2O devised from first principles Matar SF, Weihrich R |
120 - 124 |
Origin of non-Gaussian site energy disorder in molecular aggregates Rancova O, Jakucionis M, Valkunas L, Abramavicius D |
125 - 129 |
Synthesis and evaluation of alpha-Ag2WO4 as novel antifungal agent Foggi CC, Fabbro MT, Santos LPS, de Santana YVB, Vergani CE, Machado AL, Cordoncillo E, Andres J, Longo E |
130 - 135 |
Enhancement of photocatalytic activity over Bi2O3/black-BiOCI heterojunction Kim D, Jung D |
136 - 140 |
Oxidation of metal nanoparticles with the grain growth in the oxide Zhdanov VP |
141 - 145 |
Combined gradient projection/single component artificial force induced reaction (GP/SC-AFIR) method for an efficient search of minimum energy conical intersection (MECI) geometries Harabuchi Y, Taketsugu T, Maeda S |
146 - 150 |
Correlation of the bond-length change and vibrational frequency shift in model hydrogen-bonded complexes of pyrrole McDowell SAC |
151 - 156 |
Atomic force microscope characterization of self-assembly behaviors of cyclo[8] pyrrole on solid substrates Xu H, Zhao SQ, Xiong X, Jiang JZ, Xu W, Zhu DB, Zhang Y, Liang WJ, Cai JF |
157 - 163 |
Structural, electrical, phonon, and optical properties of Ti- and V-doped two-dimensional MoS2 Williamson I, Li SS, Hernandez AC, Lawson M, Chen Y, Li L |
164 - 167 |
A facile approach to fabricate boron carbonitride microspheres via precursor pyrolysis Zeng SF, Feng WL, Luo H, Tan YQ, Wang Y, Zhang HB, Zhang T, Peng SM |
168 - 172 |
Multicomponent DFT study of geometrical H/D isotope effect on hydrogen-bonded organic conductor, kappa-H-3(Cat EDT-ST)(2) Yamamoto K, Kanematsu Y, Nagashima U, Ueda A, Mori H, Tachikawa M |
173 - 178 |
Measuring molecular motions inside single cells with improved analysis of single-particle trajectories Rowland DJ, Biteen JS |