Chemical Physics Letters

Chemical Physics Letters, Vol.595 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (48 articles)

1 - 5	Fast electron transfer kinetics on electrodes composed of graphene oxide'patched' with direct exfoliated pristine graphene nanosheets Du WC, Zhou B, Jiang XQ
6 - 12	Exploring structures and properties of new geodesic polyarenes Trzaskowski B, Adamowicz L, Beck W, Muralidharan K, Deymier PA
13 - 19	The reaction of the benzene cation with acetylenes for the growth of PAHs in the interstellar medium Ghesquiere P, Talbi D, Karton A
20 - 24	Manifold electronic structure transition of hybrid silicane-silicene nanoribbons Li GH, Tan J, Liu XD, Wang XP, Li F, Zhao MW
25 - 30	Studies on external electric field effects on absorption and fluorescence spectra of NADH Nakabayashi T, Islam MS, Li L, Yasuda M, Ohta N
31 - 34	Equality of diffusion-limited chronoamperometric currents to equal area spherical and cubic nanoparticles on a supporting electrode surface Katelhon E, Barnes EO, Krause KJ, Wolfrum B, Compton RG
35 - 42	Gas adsorption on MoS2 monolayer from first-principles calculations Zhao SJ, Xue JM, Kang W
43 - 47	A theoretical investigation on the kinetics, mechanism and thermochemistry of gas-phase reactions of methyl acetate with chlorine atoms at 298 K Deka RC, Mishra BK
48 - 54	The degeneracy of the Hessian eigenvalues of the pi-electron density: A new manifestation of aromaticity Firouzi R
55 - 60	A new variant of multicanonical Monte Carlo algorithm with specifying the temperature range and its application to the hydration free energy change of fluorinated methane derivatives Doi HD, Aida M
61 - 66	Carrier-envelope-phase dependence of asymmetric C-D bond breaking in C2D2 in an intense few-cycle laser field Miura S, Ando T, Ootaka K, Iwasaki A, Xu HL, Okino T, Yamanouchi K, Hoff D, Rathje T, Paulus GG, Kitzler M, Baltuska A, Sansone G, Nisoli M
67 - 72	Surface to volume ratio of carbon nanohorn - A crucial factor in CO2/CH4 mixture separation Furmaniak S, Terzyk AP, Kaneko K, Gauden PA, Kowalczyk P, Ohba T
73 - 76	4-Chloro-3-fluoroaniline studied by resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy Huang YH, Huang WC, Tzeng WB
77 - 82	Reduction by water for eco-friendly, capping agent-free synthesis of ultrasmall platinum nanocrystals Lim GH, Yu T, Koh T, Lee JH, Jeong U, Lim B
83 - 86	The crucial role of molecular ions in the radial contraction of argon microwave-sustained plasma jets at atmospheric pressure Ridenti MA, Spyrou N, Amorim J
87 - 90	Unveiling the mechanism of core-shell formation by counting the relative occurrence of microstates Paz SA, Leiva EPM
91 - 96	Band structure engineering of CdSe nanosheet by strain: A first-principles study Chen N, Yu GL, Gu X, Chen L, Xie YQ, Liu F, Wang FF, Ye X, Shi WZ
97 - 102	Free base phthalocyanine: Influence of thermal effects and dimerization on the electronic absorption spectrum Cabral BJC, Cruzeiro VWD, Coutinho K, Canuto S
103 - 108	Theoretical study of N (S-4, D-2) + CH3 ((2)A(2)'') reaction mechanisms revisited: The importance of spin-forbidden and roaming dynamics processes Chiba S, Yoshida F, Takayanagi T
109 - 112	Anharmonicity contributions to the vibrational first and second hyperpolarizability of para-disubstituted benzenes Zalesny R
113 - 120	Inclusion complexes of N-sulfamoyloxazolidinones with beta-cyclodextrin: A molecular modeling approach Dinar K, Sahra K, Seridi A, Kadri M
121 - 126	Theoretical studies on the dissociation reactions of chloromethyl peroxynitrate Wei WM, Zheng RH, Hou T, Xu SJ, Zhang SH
127 - 132	Gold nanodumbbell-seeded growth of silver nanobars and nanobipyramids Deng JP, Chen CW, Hsieh WC, Wang CH, Hsu CY, Lin JH
133 - 137	A first-principles study of electron attachment to the fully hydrated bromonucleobases Wieczor M, Wityk P, Czub J, Chomicz L, Rak J
138 - 143	Infrared spectroscopic studies on 4-amino-6-oxopyrimidine in a low-temperature Xe matrix and crystalline polymorphs composed of double hydrogen-bonded ribbons Ohyama K, Goto K, Shinmyozu T, Yamamoto N, Iizumi S, Miyagawa M, Nakata M, Sekiya H
144 - 150	Physical properties of mononuclear organoeuropium sandwich complexes ligated by cyclooctatetraene and bis(trimethylsilyl) cyclooctatetraene Tsuji T, Fukazawa S, Sugiyama R, Kawasaki K, Iwasa T, Tsunoyama H, Tokitoh N, Nakajima A
151 - 155	Static and dynamic modifications to photon absorption: The effects of surrounding chromophores Coles MM, Leeder JM, Andrews DL
156 - 166	Spontaneous insertion of carbon nanotube bundles inside biomembranes: A hybrid particle-field coarse-grained molecular dynamics study Sarukhanyan E, De Nicola A, Roccatano D, Kawakatsu T, Milano G
167 - 170	Conductance of Au/1,4-benzenedicarbothioamide/Au molecular junctions: A proposal for a potential linker Sagisaka T, Kurokawa S, Sakai A, Yamashita K, Taguch M, Asano MS, Sugiura K
171 - 174	Formation of rubrene nanocrystals by laser ablation in liquids utilizing MAPLE deposited thin films O'Malley SM, Amin M, Borchert J, Jimenez R, Steiner M, Fitz-Gerald JM, Bubb DM
175 - 179	On the ferryl catalyst: Electronic structure and optimized ab initio geometry Miranda U, Varandas AJC, Kaplan IG
180 - 184	Non-Born-Oppenheimer molecular wave functions of H-2 by extended multi-configuration time-dependent Hartree-Fock method Ide Y, Kato T, Yamanouchi K
185 - 191	Bond dissociation mechanism of ethanol during carbon nanotube synthesis via alcohol catalytic CVD technique: Ab initio molecular dynamics simulation Oguri T, Shimamura K, Shibuta Y, Shimojo F, Yamaguchi S
192 - 196	Growth optimisation of high quality graphene from ethene at low temperatures Wirtz C, Lee K, Hallam T, Duesberg GS
197 - 202	Bound state spectrum of the triplet states in the Be atom Frolov AM, Ruiz MB
203 - 208	Luminescence properties of boron and nitrogen doped graphene quantum dots prepared from arc-discharge-generated doped graphene samples Dey S, Govindaraj A, Biswas K, Rao CNR
209 - 213	How does the electronic continuum model perform in the prediction of the surface tension of salt solutions? Neyt JC, Wender A, Lachet V, Szymczyk A, Ghoufi A, Malfreyt P
214 - 219	Covalent radii from ionization energies of isoelectronic series Agmon N
220 - 225	Open-shell characters and second hyperpolarizabilities for hexagonal graphene nanoflakes including boron nitride domains Yoneda K, Matsui H, Fukuda K, Takamuku S, Kishi R, Nakano M
226 - 229	Characteristics of selenate in aqueous solution - An ab initio QMCF-MD study Sakwarathorn T, Pongstabodee S, Vchirawongkwin V, Canaval LR, Tirler AO, Hofer TS
230 - 236	On the formation of ethynylbiphenyl (C14D5H5; C6D5C6H4CCH) isomers in the reaction of D5-phenyl radicals (C6D5; X(2)A(1)) with phenylacetylene (C6H5C2H; X(1)A(1)) under single collision conditions Parker DSN, Yang T, Kaiser RI, Landera A, Mebel AM
237 - 241	Theoretical study on mechanism of dioxygen evolution in photosystem II. II. Molecular and electronic structures at the S-3 and S-4 states of oxygen-evolving complex Ichino T, Yoshioka Y
242 - 249	Difference in dimer conformation between amyloid-beta(1-42) and (1-43) proteins: Replica exchange molecular dynamics simulations in water Yano A, Okamoto A, Nomura K, Higai S, Kurita N
250 - 255	Size-dependent density of states and optical spectra of CdSe quantum rods and tubes Proshchenko V, Dahnovsky Y
256 - 259	The high-resolution infrared spectrum of the nu(3) + nu(8) combination band of jet-cooled propyne Zhao DF, Linnartz H
260 - 265	Theoretical investigation on the electronic structures and phosphorescent properties of seven iridium(III) complexes with the different substituted 2-phenylpyridinato ancillary ligand Han DM, Li CY, Zhao LH, Sun XP, Zhang G
266 - 271	Growth mechanisms and selectivity for graphene or carbon nanotube formation on SiC (000(1)over-bar): A density-functional tight-binding molecular dynamics study Ogasawara N, Norimatsu W, Irle S, Kusunoki M
272 - 276	Planar tetracoordinate carbon stabilized by heavier congener cages: The Si9C and Ge9C clusters Tam NM, Ngan VT, Nguyen MT