1 - 5 |
Reduction of N-2 with H-2 on palladium surfaces at low temperatures Murakami J, Futamata M, Nakao Y, Horiuchi S, Bando K, Nagashima U, Yoshimura K |
6 - 10 |
Inhibitory effect of oxygen on excitation waves in the Belousov-Zhabotinsky reaction with different excitability Luengviriya J, Phantu M, Muller SC, Luengviriya C |
11 - 13 |
Synthesis and mechanism study of CdS quantum dots in two-phase liquid/liquid interfaces via one-pot route Wang JD, Guo KH, Ke DD, Han SM |
14 - 19 |
Surface Enhanced Raman Scattering studies of L-amino acids adsorbed on silver nanoclusters Botta R, Rajanikanth A, Bansal C |
20 - 23 |
Field-swept S-33 NMR study of elemental sulfur Yamada K, Kitagawa K, Takahashi M |
24 - 29 |
Optical properties of anthocyanins in the gas phase Ge XC, Calzolari A, Baroni S |
30 - 36 |
Linearity condition for orbital energies in density functional theory (V): Extension to excited state calculations Imamura Y, Suzuki K, Iizuka T, Nakai H |
37 - 41 |
Electronic energy gap correlation function and spectral density of anharmonic molecules at low temperatures I: Theory Toutounji M |
42 - 45 |
Interaction of rare gas dimers in the confines of a carbon nanotube Kumar P, Ramachandran CN, Mishra BK, Sathyamurthy N |
46 - 50 |
Annealing relaxation of ultrasmall gold nanostructures Chaban V |
51 - 56 |
A comprehensive search of topologically distinct local minimum structures of protonated water octamer and the classification of O-H topological types Akase D, Teramae H, Aida M |
57 - 62 |
Ab initio study of adsorption properties of hazardous organic molecules on graphene: Phenol, phenyl azide, and phenylnitrene Lee J, Min KA, Hong S, Kim G |
63 - 65 |
Depression of melting point for protective aluminum oxide films Dreizin EL, Allen DJ, Glumac NG |
66 - 71 |
Theoretical DFT study of homonuclear and binary transition-metal dimers Posada-Borbon A, Posada-Amarillas A |
72 - 77 |
Observation of abnormal magnetoelectric behavior in 0-3 type CoFe2O4-BaTiO3 nanocomposites Wang WP, Yang H, Xian T, Yu RC |
78 - 82 |
The hydration properties of Eu(II) and Eu(III): An ab initio quantum mechanical molecular dynamics study Canaval LR, Rode BM |
83 - 88 |
When valence bond wave functions are analyzed through QTAIM: Conceptual incompatibilities in H-2 Ferro-Costas D, Mosquera RA |
89 - 93 |
The thiocyanate anion is a primary driver of carbon dioxide capture by ionic liquids Chaban V |
94 - 98 |
pH dependent protein stability: A quantitative approach based on Kramer's barrier escape Chatterjee D |
99 - 101 |
Radicalicity: A scale to compare reactivities of radicals Fiser B, Mucsi Z, Gomez-Bengoa E, Viskolcz B, Jensen SJK, Csizmadia IG |
102 - 107 |
Heterogeneous elastic network model improves description of slow motions of proteins in solution Li M, Zhang JZH, Xia F |
108 - 113 |
X-ray induced color change on dense yttria samples obtained by spark plasma sintering Attia MAA, Garroni S, Chiriu D, Ricci C, Delogu F, Orru R, Cao G |
114 - 118 |
FTIR gas kinetic study of the reactions of ozone with a series of hexenols at atmospheric pressure and 298 K Gibilisco RG, Bejan I, Barnes I, Wiesen P, Teruel MA |
119 - 122 |
Analysis of a remarkable perpendicular band in Kr-H2O with origin close to the v(1) + v(3) R(0) line in H2O Foldes VT, Vander Auwera J, Herman M |
123 - 126 |
ZnO homojunction ultraviolet photodetector based on p-type dual-doped film and n-type nanorods Duan L, Wang P, Zhang WX, Yu XC, Fan JB, Wei F |
127 - 131 |
Electronic and magnetic properties of C-60-Fe-n-graphene intercalating nanostructures (n=1-6) predicted from first-principles calculations Le HM, Ng WKH, Hirao H |
132 - 141 |
Gauge-origin dependence of NMR shielding constants in the Douglas-Kroll-Hess method Yoshizawa T, Hada M |
142 - 146 |
Tuning electron-hole distance of the excitons in organic molecules using functional groups Wang TY, Weerasinghe KC, Ubaldo PC, Liu DZ, Li W, Zhou XQ, Wang LC |
147 - 152 |
Search of the conformations of Val-dipeptide and Val-tripeptide by ab initio method and ABEEM sigma pi polarizable force field Xu S, Zhao DX, Gong LD, Liu C, Yang ZZ |
153 - 161 |
Probing dissociative electron attachment through formation of heavy-Rydberg ion pair states in Rydberg atom collisions Buathong S, Kelley M, Wang CH, Dunning FB |
162 - 167 |
The substituent effect from the perspective of local hyper-softness. An example applied on normeloxicam, meloxicam and 4-meloxicam: Non-steroidal anti-inflammatory drugs Martinez-Araya JI, Glossman-Mitnik D |
168 - 173 |
Benchmark binding energies of ammonium and alkyl-ammonium ions interacting with water. Are ammonium-water hydrogen bonds strong? Vallet V, Masella M |
174 - 181 |
Initiation stage of alkene metathesis: Insights from natural bond orbital and charge decomposition analyses Paredes-Gil K, Jaque P |
182 - 185 |
A novel green phosphor LaMgAl11O19:Ho3+ for near-UV/blue light-pumped white light-emitting diodes Min X, Fang MH, Huang ZH, Liu H, Liu YG, Tang C, Wu XW |
186 - 191 |
Smaller 145th residue makes fluorescent protein non-fluorescent: Fluorescence lifetimes of enhanced yellow fluorescent protein (eYFP) Y145 mutants and H148 mutants Hosoi H, Hazama S, Takeda Y |
192 - 197 |
Generation of long-lived methylviologen radical cation in the triplet-state mediated electron transfer in a beta-cyclodextrin based supramolecular triad Rakhi AM, Gopidas KR |
198 - 202 |
Sensitized non-coherent photon upconversion by intramolecular triplet-triplet annihilation in a diphenylanthracene pendant polymer Tilley AJ, Robotham BE, Steer RP, Ghiggino KP |
203 - 207 |
Redox-dependent conformational transition of catalytic domain of protein disulfide isomerase indicated by crystal structure-based molecular Inagaki K, Satoh T, Itoh SG, Okumura H, Kato K |
208 - 213 |
Solid electrolyte interphases at Li-ion battery graphitic anodes in propylene carbonate (PC)-based electrolytes containing FEC, LiBOB, and LiDFOB as additives Bhatt MD, O'Dwyer C |
214 - 218 |
Breakdown of diameter selectivity in a reductive hydrogenation reaction of single-walled carbon nanotubes Nemeth K, Jakab E, Borondics F, Tohati HM, Pekker A, Bokor M, Verebelyi T, Tompa K, Pekker S, Kamaras K |
219 - 224 |
UV-tunable laser induced photolysis of matrix isolated anisole Krupa J, Wierzejewska M |
225 - 230 |
Raman spectroscopic approach to monitor the in vitro cyclization of creatine -> creatinine Gangopadhyay D, Sharma P, Singh SK, Singh P, Tarcea N, Deckert V, Popp J, Singh RK |
231 - 235 |
Substrate effect on thermal transport properties of graphene on SiC(0001) surface Chen KX, Wang XM, Mo DC, Lyu SS |
236 - 240 |
Reptation Quantum Monte Carlo calculation of charge transfer: The Na-Cl dimer Yao Y, Kanai Y |