1 - 6 |
Opening a large band gap for graphene by covalent addition Gao XF, Wei ZQ, Meunier V, Sun YY, Zhang SBB |
7 - 11 |
Nucleation behavior of supported Rh nanoparticles fabricated from Rh(CO)(2)(acac) on Al2O3/Ni3Al(111) Khosravian H, Lei Y, Uhl A, Trenary M, Meyer RJ |
12 - 18 |
Unravelling Coriolis temperature-dependent effects on doped helium clusters: Vib-rotational Raman spectra of (He-3,He-4)(4)-Cl-2(X) Aguirre NF, Villarreal P, Delgado-Barrio G, Mitrushchenkov AO, de Lara-Castells MP |
19 - 25 |
Electronically excited states of protonated phenol and para-substituted phenol Azizkarimi S, Omidyan R, Azimi G |
26 - 30 |
The structural and electronic properties of small osmium clusters (2-14): A density functional theory study Takahashi K, Isobe S, Ohnuki S |
31 - 37 |
The Fourier transform microwave spectrum of YC2 ((X)over-tilde(2)A(1)) and its C-13 isotopologues: Chemical insight into metal dicarbides Halfen DT, Min J, Ziurys LM |
38 - 43 |
Identification of isotopomers in natural abundance using two dimensional laser induced fluorescence: S-1-S-0 spectral shifts for the four C-13 isotopomers of fluorobenzene Gascooke JR, Lawrance WD |
44 - 50 |
Performance of an integrated approach for prediction of bond dissociation enthalpies of phenols extracted from ginger and tea Nam PC, Chandra AK, Nguyen MT |
51 - 56 |
Exploring unvisited regions to investigate solution properties: The backyard of H3O+ and its aggregates Mella M |
57 - 63 |
Spectroscopic studies of the Jahn-Teller effect in the (A)over-tilde(2)E'' state of the nitrate radical NO3 Takematsu K, Eddingsaas NC, Robichaud DJ, Okumura M |
64 - 71 |
Laser induced fluorescence study of the (B)over-tilde-(X)over-tilde transition of FCH2CH2O Chhantyal-Pun R, Chen MW, Miller TA |
72 - 78 |
Reaction of volatile anaesthetic desflurane with chlorine atom. Theoretical investigation Zierkiewicz W |
79 - 83 |
Relativistic coupled-cluster calculations of spectroscopic and chemical properties for element 120 Skripnikov LV, Mosyagin NS, Titov AV |
84 - 86 |
Gold-standard coupled-cluster study of the ground-state chromium dimer cation Yamada Y, Hongo K, Egashira K, Kita Y, Nagashima U, Tachikawa M |
87 - 91 |
The magnetic circular dichroism (MCD) and absorption studies of 1,8-naphthalimide. The theoretical analysis in terms of density functional (DF) and coupled cluster (CC) theories Seidler T, Andrzejak M, Pawlikowski MT |
92 - 95 |
Two-phonon absorption operator in spectroscopy Toutounji M |
96 - 100 |
O-17 MAS NMR and first principles calculations of ZrO2 polymorphs Pimentel HRX, Aguiar DLM, San Gil RAS, Souza EF, Ferreira AR, Leitao AA, Alencastro RB, Menezes SMC, Chiaro SSX |
101 - 105 |
Photochemical behaviors of a tethered 1,3-diketone derivative studied by transient absorption and time-resolved EPR measurements Kobayashi A, Yamaji M, Nakajima S, Akiyama K, Tero-Kubota S, Kato S, Nakamura Y |
106 - 109 |
Tracing environment effects that influence the stability of anion-anion complexes: The case of phosphate-phosphate interactions Mata I, Alkorta I, Molins E, Espinosa E |
110 - 114 |
Gas phase electronic absorption spectroscopy of room temperature ionic liquids: N-Ethyl-3-methylpyridinium or 1-butyl-3-methylimidazolium cation with bis(trifluoromethylsulfonyl)amido anion Ogura T, Akai N, Kawai A, Shibuya K |
115 - 118 |
Hydrazine at high pressure Pravica M, Bai LG, Liu Y |
119 - 124 |
Structure and electronic properties of a strong dipolar liquid: Born-Oppenheimer molecular dynamics of liquid hydrogen cyanide Martiniano HFMC, Cabral BJC |
125 - 130 |
Molecular oxygen adsorption on ferromagnetic platinum Escano MCS, Nguyen TQ, Kasai H |
131 - 134 |
Spin-lattice relaxation and intersystem crossing in single molecules of terrylene embedded in a p-terphenyl crystal Bialkowska M, Makarewicz A, Banasiewicz M, Kozankiewicz B |
135 - 140 |
The comparison of approaches to the solid-state NMR-based structural refinement of vitamin B-1 hydrochloride and of its monohydrate Czernek J, Pawlak T, Potrzebowski MJ, Brus J |
141 - 144 |
First-principles study on strontium titanate for visible light photocatalysis Liu HF, Dong HF, Meng XQ, Wu FM |
145 - 148 |
Avoiding pitfalls in the modeling of electrochemical interfaces Bjorketun ME, Zeng ZH, Ahmed R, Tripkovic V, Thygesen KS, Rossmeisl J |
149 - 153 |
Investigation of optical limiting in Cobalt nanoparticles synthesized by laser ablation Shukla V, Singh CP, Mukherjee C, Bindra KS |
154 - 158 |
Controllable growth of ZnO mesocrystals using a facile electrochemical approach Li T, Cao ZJ, You HJ, Xu MW, Song XP, Fang JX |
159 - 163 |
Microwave dielectric properties of inorganic fullerene-like tungsten disulfide nanoparticles Chang H, Dimitrakis G, Xu F, Yi CB, Kingman S, Zhu YQ |
164 - 167 |
A simple recoverable titration method for quantitative characterization of amine-functionalized carbon nanotubes Moaseri E, Baniadam M, Maghrebi M, Karimi M |
168 - 172 |
Predicting the equilibrium structure of organic semiconductors with genetic algorithms Ribeiro LA, Neto PHD, da Cunha WF, Gargano R, Silva GME |
173 - 177 |
Predicted ferromagnetism in hole doped armchair nanoribbons: A first principles study Chen X, Ni J |
178 - 181 |
Tuning the electromagnetic field coupling between nanoporous silver and silver nanoparticles connected by hybridized oligonucleotide Zhao Y, Yan KQ, Huang XR, Zhang ZH, Qu YB |
182 - 186 |
Effect of annealing temperature on Raman spectra of TiO2 nanoparticles Mathpal MC, Tripathi AK, Singh MK, Gairola SP, Pandey SN, Agarwal A |
187 - 190 |
Theoretical investigation of the beta value of the phenylene and phenylene ethynylene units by evaluating exchange interaction between organic radicals Nishizawa S, Hasegawa J, Matsuda K |
191 - 195 |
Electronic structure of ZnO/ZnS core/shell quantum dots Saha S, Sarkar P |
196 - 201 |
Highly efficient up-conversion and bright white light in RE co-doped KYF4 nanocrystals in sol-gel silica matrix Mendez-Ramos J, Yanes AC, Santana-Alonso A, del-Castillo J |
202 - 205 |
Size-depressed critical temperatures for the order-disorder transition of FePt, CoPt, FePb, Cu2S, and ZnS nanostructures Jiang R, Zhou ZF, Yang XX, Guo NG, Qi WH, Sun CQ |
206 - 211 |
Photophysics of hydrogen bonded diarylethene dimers in the liquid phase Kuehn S, Friede S, Zastrow M, Schiebler K, Rueck-Braun K, Elsaesser T |
212 - 216 |
High-capacity hydrogen storage of Na-decorated graphene with boron substitution: First-principles calculations Wang FD, Wang F, Zhang NN, Li YH, Tang SW, Sun H, Chang YF, Wang RS |
217 - 221 |
The doorsill of fullerene Zhao HY, Liu KM, Wang J, Han HY, Liu Y |
222 - 225 |
Ultraviolet photoelectron spectra of Lu atoms encapsulated C-2v-C-82 fullerenes Miyazaki T, Sumii R, Umemoto H, Okimoto H, Sugai T, Shinohara H, Hino S |
226 - 229 |
Local fluctuation control of papain by changing a highly fluctuating residue Nishiyama K |
230 - 234 |
The effect of intermolecular interactions on the electric dipole polarizabilities of nucleic acid base complexes Czyznikowska Z, Gora RW, Zalesny R, Bartkowiak W, Baranowska-Laczkowska A, Leszczynski J |
235 - 238 |
Infinite order relaxation effects for core ionization energies with a variational coupled cluster ansatz Watson TJ, Bartlett RJ |
239 - 246 |
Anisotropic heat transfer prediction of multiscale wires using pulse laser thermal relaxation technique Tan JW, Cheng Y, Yap DSG, Gong F, Nguyen ST, Duong HM |
247 - 251 |
Rate coefficient for the important interstellar radiative association between CH3+ and H-2 from classical reaction dynamics Patuwo MY, Lim MB, Bettens RPA |
252 - 257 |
Singlet oxygen (O-1(2)) generation upon 1270 nm laser irradiation of ground state oxygen (O-3(2)) dissolved in organic solvents: Simultaneous and independent determination of O-1(2) production rate and reactivity with chemical traps Sivery A, Anquez F, Pierlot C, Aubry JM, Courtade E |
258 - 262 |
In situ CF MAS NMR study of the pairwise incorporation of parahydrogen into olefins on rhodium-containing zeolites Y Henning H, Dyballa M, Scheibe M, Klemm E, Hunger M |
263 - 267 |
Polarizability of few electron quantum dots: Extended coupled-cluster response approach Heidari I, Vaval N, Pal S, Kanhere DG |
268 - 273 |
Magnetic field induced hopping among Arnold entrainment tongues of coupled iron electrochemical oscillators Koyama H, Nakao H, Yoshikawa HY, Nakabayashi S |
274 - 281 |
Numerical Poisson-Boltzmann model for continuum membrane systems Botello-Smith WM, Liu XP, Cai Q, Li ZL, Zhao HK, Luo R |
282 - 285 |
On the magnetic behavior of spherical aromatic compounds. Insights from the closo-[B12H12](2-) cluster through chemical shift tensor maps Munoz-Castro A |
286 - 290 |
Chiral discrimination and the measurement of enantiomeric excess from a severely overcrowded NMR spectrum Chaudhari SR, Suryaprakash N |
291 - 295 |
Optimized purification for density matrix calculation Suryanarayana P |
296 - 299 |
High proton spin polarization with DNP using the triplet state of pentacene-d(14) Eichhorn TR, Haag M, van den Brandt B, Hautle P, Wenckebach WT |
300 - 305 |
Synchronization of oscillatory chemiluminescence with pulsed light irradiation Takayama S, Okano K, Asakura K |
306 - 309 |
Comment on'Molecular driving forces of the pocket-ligand hydrophobic association' by G. Graziano, Chem. Phys. Lett. 533 (2012) 95 Setny P, Baron R, McCammon JA |
310 - 311 |
Reply to the comment by Setny, Baron and McCammon on the article'Molecular driving forces of the pocket-ligand hydrophobic association', Chem. Phys. Lett. 533 (2012) 95 Graziano G |