1 - 6 |
Silane activation by laser-ablated Be atoms: Formation of HBeSiH3 and HBe(mu-H)(3)Si molecules Zhao J, Yu WJ, Xu B, Huang TF, Wang XF |
7 - 12 |
Channel-specific photoelectron angular distribution in laboratory and molecular frames for dissociative ionization of methanol in intense ultraviolet laser fields Fukahori S, Nakano M, Yamanouchi K, Itakura R |
13 - 20 |
Specific interactions between amyloid-p peptides in an amyloid-beta hexamer with three-fold symmetry: Ab initio fragment molecular orbital calculations in water Ishimura H, Tomioka S, Kadoya R, Shimamura K, Okamoto A, Shulga S, Kurita N |
21 - 25 |
The physical origin of hydrophobic effects Sun Q |
26 - 30 |
Synthesis of boron-doped g-C3N4 with enhanced electro-catalytic activity and stability Zhang SY, Gao LN, Fan DL, Lv XM, Li Y, Yan ZX |
31 - 33 |
Constrained dipole oscillator strength distributions, sum rules, and dispersion coefficients for Br-2 and BrCN Kumar A, Thakkar AJ |
34 - 46 |
Rotation-vibration motion of extremely flexible molecules - The molecular superrotor Schmiedt H, Jensen P, Schlemmer S |
47 - 53 |
Low-rank factorization of electron integral tensors and its application in electronic structure theory Peng B, Kowalski K |
54 - 56 |
A low energy pathway to CuCl2: A theoretical investigation Suleiman IA, Stockenhuber M, Kennedy EM |
57 - 62 |
Surface modification of Cobalt ferrite nano-hollowspheres for inherent multiple photoluminescence and enhanced photocatalytic activities Talukdar S, Mandal D, Mandal K |
63 - 69 |
Effects of alkoxy substitution on molecular structure, physicochemical and photovoltaic properties of 2D-conjugated polymers based on benzo[1,2-b:4,5-b']dithiopheneand fluorinated benzothiadiazole Wang WG, Wang G, Yang J, Zhang J, Chen LX, Weng C, Zhang ZG, Li YF, Shen P |
70 - 79 |
Lithium adsorption on heteroatom mono and dual doped graphene Denis PA |
80 - 88 |
Molecular interactions investigated with DFT calculations of QTAIM and NBO analyses: An application to dimeric structures of rice alpha-amylase/subtilisin inhibitor Astani EK, Hadipour NL, Chen CJ |
89 - 96 |
Bambusurils as effective ion caging agents: Does desolvation guide conformation? Cova TFGG, Nunes SCC, Pinho e Melo TMVD, Pais AACC |
97 - 98 |
A thermochemical explanation for the stability of NaCl3 and NaCl7 De Farias RF |
99 - 104 |
A series of BCN nanosheets with enhanced photoelectrochemical performances Li J, Lei N, Hao HJ, Zhou J |
105 - 111 |
First-principles study of hydrogen storage on Li12F12 nano-cage Zhang Y, Cheng X |
112 - 118 |
Photochemistry of UV-excited trifluoroacetylacetone and hexafluoroacetylacetone II: Quantum yield and rate constants of hydrogen fluoride photoelimination forming fluorinated methylfuranones Disselkoen KR, Alsum JR, Thielke TA, Muyskens MA |
119 - 123 |
Solvent effect on nucleation-growth of titanium-oxo-alkoxy nanoparticles Cheng K, Chhor K, Kanaev A |
124 - 127 |
The role of London dispersion interactions in strong and moderate intermolecular hydrogen bonds in the crystal and in the gas phase Katsyuba SA, Vener MV, Zvereva EE, Brandenburg JG |
128 - 132 |
Thermodynamic properties of hydrogen dissociation reaction from the small system method and reactive force field ReaxFF Trinh TT, Meling N, Bedeaux D, Kjelstrup S |
133 - 136 |
Explicitly-correlated coupled cluster method for long-range dispersion coefficients Bokhan D, Trubnikov DN, Perera A, Bartlett RJ |