Chemical Physics Letters

Chemical Physics Letters, Vol.621 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (35 articles)

1 - 4	Cu-5(VO4)(2)(OH)(4)center dot H2O nanobelts as anode materials for lithium-ion batteries Zhang SY, An W, Wu G
5 - 11	Delta g: The new aromaticity index based on g-factor calculation applied for polycyclic benzene rings Ucun F, Tokatli A
12 - 17	How strong are Ca2+-heparin and Zn2+-heparin interactions? Remko M, Broer R, Remkova A, Van Duijnen PT
18 - 21	Discovery of a new polymorphic phase of ortho-bromobenzophenone Baran J, Davydova NA, Drozd M
22 - 28	Efficient energy transfer between J-aggregates of thiamonomethinecyanine dyes Petrenko VY, Dimitriev OP, Slominskii YL, Smirnova AL
29 - 34	Confinement induced binding in noble gas atoms within a BN-doped carbon nanotube Chakraborty D, Chattaraj PK
35 - 40	Accurate mapped trigonometric discrete variable representations for Coulomb singularities in molecules: Applications with H-2(+) and H-2 in cylindrical coordinates Lin XS, Sun ZG
41 - 45	Monitoring the alcoholysis of isocyanates with infrared spectroscopy Kossl F, Lisaj M, Kozich V, Heyne K, Kuhn O
46 - 51	Effects of orthovanadate-based nanoparticles of various sizes on the aggregation behavior of polymethine dyes in aqueous solutions Grygorova G, Klochkov V, Yefimova S, MalyukinInstitute Y
52 - 57	Roles of charge state and interatomic distance in the magnetic properties of C-doped MgO Kuang FG, Kuang XY, Kang SY, Wang ZH, Mao AJ
58 - 64	P-P heterojunction sensor of self-assembled polyaniline nano-thin film/microstructure silicon array for NH3 detection Tai HL, Xu XY, Ye ZB, Liu CH, Xie GZ, Jiang YD
65 - 70	First principle calculations of the chemisorption of SOx on doped carbon nanotubes and graphene Al-Sunaidi A, Al-Saadi AA
71 - 77	Rate coefficients for the reaction of ozone with 2-and 3-carene Chen H, Ren Y, Cazaunau M, Dalele V, Hu Y, Chen J, Mellouki A
78 - 84	Rate constants for the gas-phase reactions of (Z)-CF3CH=CHF and (E)-CF3CH=CHF with OH radicals at 253-328 K Zhang N, Chen L, Mizukado J, Quan H, Suda H
85 - 90	Computational investigation of the hydration of alkyl diammonium cations in water clusters Jahangiri S, Legris-Falardeau V, Peslherbe GH
91 - 95	Thermophysical properties and eutectic growth of electrostatically levitated and substantially undercooled liquid Zr91.2Si8.8 alloy Hu L, Li LH, Yang SJ, Wei B
96 - 101	Charge-transfer matrix elements by FMO-LCMO approach: Hole transfer in DNA with parameter tuned range-separated DFT Kitoh-Nishioka H, Ando K
102 - 108	Relationship between coupling constants in Heisenberg exchange Hamiltonian and Ising model Datta SN, Hansda S
109 - 116	Effects of volumetric expansion in molecular crystals: A quantum mechanical investigation on aspirin and paracetamol most stable polymorphs Adhikari K, Flurchick KM, Valenzano L
117 - 123	Current-potential response and concentration profiles of redox polymer-mediated enzyme catalysis in biofuel cells - Estimation of Michaelis-Menten constants Saravanakumar K, Rajendran L, Sangaranarayanan MV
124 - 128	Tyrosine-glycine revisited: Resolving the discrepancy between theory and experiment Holroyd LF, van Mourik T
129 - 133	An experimental and theoretical study on rotational constants of vibrationally excited CH2OO Nakajima M, Yue Q, Li J, Guo H, Endo Y
134 - 140	Para-ortho isomerization of H-2(+). Non-Born-Oppenheimer direct variational calculations with explicitly correlated all-particle Gaussian functions Kirnosov N, Sharkey KL, Adamowicz L
141 - 145	Dopant chemical potential modulation on oxygen vacancies formation in In2O3: A comparative density functional study Yu ZG, Sun J, Sullivan MB, Zhang YW, Gong H, Singh DJ
146 - 154	Effect of orbital and ionic dynamics coupling in barrier crossing rates for Car-Parrinello molecular dynamics Mohanam LN, Ong SW, Tok ES, Kang HC
155 - 159	Quantum efficiency enhancement in CsI/metal photocathodes Kong LM, Joly AG, Droubay TC, Hess WP
160 - 164	A quantum informational approach for dissecting chemical reactions Duperrouzel C, Tecmer P, Boguslawski K, Barcza G, Legeza O, Ayers PW
165 - 170	Comparison of hydrogen bonds, halogen bonds, C-H center dot center dot center dot pi interactions, and C-X center dot center dot center dot pi interactions using high-level ab initio methods Riley KE, Ford CL, Demouchet K
171 - 176	Surface enhanced fluorescence from corroles and SERS studies of explosives using copper nanostructures Hamad S, Podagatlapalli GK, Mohiddon MA, Rao SV
177 - 183	Second-order Moller-Plesset perturbation theory for the transcorrelated Hamiltonian applied to solid-state calculations Ochi M, Tsuneyuki S
184 - 187	Solid state electrochemical synthesis of titanium carbide Osarinmwian C, Roberts EPL, Mellorc IM
188 - 192	An attempt to evaluate the effect of proton-coupled electron transfer on the H-abstraction step of the reaction between 1,1-dimethylhydrazine and cytochrome P450 compound I Hirao H, Chuanprasit P
193 - 198	The CH3CHOO'Criegee intermediate' and its anion: Isomers, infrared spectra, and W3-F12 energetics Kettner M, Karton A, McKinley AJ, Wild DA
199 - 202	Quantitative analysis of a labeled C-13 system in NMR Liu HW, Zhang SM
203 - 208	Elucidating microscopic structure and dynamics in optically tweezed environments Roy D, Mondal D, Goswami D