1 - 6 |
Construction of ultra-coarse-grained model of protein with a G(o)over-bar-like potential Zhang YW, Cao ZX, Xia F |
7 - 15 |
Benchmarking calculations of spectral densities for the diagonal and nondiagonal exciton-phonon coupling of tetracene crystal Zhang J, Zhu CY, Liang WZ |
16 - 21 |
The effect of rotational isomerism on the first hyperpolarizability of chromophores with divinyl quinoxaline conjugated bridge Levitskaya AI, Kalinin AA, Fominykh OD, Balakina MY |
22 - 28 |
Disorder-induced metal-insulator transition in cooled silver and copper nanoparticles: A statistical study Sandonas LM, Landauro CV |
29 - 35 |
Theoretical study of direct versus oxygen -assisted water dissociation on Co(0001) surface Yang J, Ma J, Ma SH, Dai XQ |
36 - 39 |
Understanding mobility degeneration mechanism in organic thin-film transistors (OTFT) Wang W, Wang L, Xu GW, Gao N, Wang LF, Ji ZY, Lu CY, Lu ND, Li L, Liu M |
40 - 43 |
Tuning the electronic environment of the anion by using binary ionic liquid mixtures Men S, Licence P |
44 - 49 |
Carbon-coated rhombohedral Li2NaV2(PO4)(3) nanoflake cathode for Li-ion battery with excellent cycleability and rate capability Alfaruqi MH, Islam S, Song J, Kim S, Pham DT, Jo J, Kim S, Baboo JP, Putro DY, Mathew V, Kim J |
50 - 55 |
Design of the strongest organic Bronsted acids in gas phase Valadbeigi Y |
56 - 63 |
Transition from metal-ligand bonding to halogen bonding involving a metal as halogen acceptor a study of Cu, Ag, Au, Pt, and Hg complexes Oliveira V, Cremer D |
64 - 68 |
Benchmarking of computational approaches for fast screening of lithium ion battery electrolyte solvents Kim D, Guk H, Choi SH, Chung DH |
69 - 74 |
State-specific simulation of oxygen vibrational excitation and dissociation behind a normal shock Hao JA, Wang JY, Lee CH |
75 - 79 |
Effect of nanoparticles on the R-II - R-I - R-V rotator phase transitions of alkanes Mukherjee PK |
80 - 85 |
Constant-potential molecular dynamics simulations on an electrode-electrolyte system: Calculation of static quantities and comparison of two polarizable metal electrode models Matsumi Y, Nakano H, Sato H |
86 - 89 |
Influence of dopants on supercontinuum generation during the femtosecond laser filamentation in water Li H, Shi Z, Wang XW, Sui LZ, Li SY, Jin MX |
90 - 94 |
In-situ potentiostatic activation to optimize electrodeposited cobalt-phosphide electrocatalyst for highly efficient hydrogen evolution in alkaline media Wei MM, Yang LM, Wang LL, Liu T, Liu CB, Tang YH, Luo SL |
95 - 100 |
Ultrafast nonlinear optical studies of equiaxed CuNbO3 microstructures Priyadarshani N, Girisun TCS, Rao SV |
101 - 104 |
Anomalous temperature dependence of liquid state density for Ni50Ti50 alloy investigated under electrostatic levitation state Zou PF, Wang HP, Yang SJ, Hu L, Wei B |
105 - 109 |
Modification of indole by electron-rich atoms and their application in novel electron donor materials Zhang ML, Qin GJ, Liu JL, Zhen Z, Fedorchuk AA, Lakshminarayana G, Albassam AA, El-Naggar AM, Ozga K, Kityk IV |
110 - 123 |
Theoretical investigations of nonlinear optical properties of two crystalline acetamides structures including polarization effects of their environment Castro AN, Osorio FAP, Ternavisk RR, Napolitano HB, Valverde C, Baseia B |
124 - 129 |
Raman study of the photopolymer formation in the {Pt(dbdtc)(2)}center dot C-60 fullerene complex and the decomposition kinetics of the photo-oligomers Meletov KP, Velkos G, Arvanitidis J, Christofilos D, Kourouklis GA |