Chemical Physics Letters

Chemical Physics Letters, Vol.698 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (38 articles)

1 - 6	A computational study on the strength and nature of bifurcated aerogen bonds Esrafili MD, Sadr-Mousavi A
7 - 10	Modeling of gate bias controlled NO2 response of the PCDTBT based organic field effect transistor Kumar A, Jha P, Singh A, Chauhan AK, Gupta SK, Aswal DK, Muthe KP, Gadkari SC
11 - 18	TRAX-CHEM: A pre-chemical and chemical stage extension of the particle track structure code TRAX in water targets Boscolo D, Kramer M, Durante M, Fuss MC, Scifoni E
19 - 23	Attaching Be or Mg to BH3 results in the formation of BeBH3 and MgBH3 molecules capable of forming stable anions Anusiewicz I, Skurski P
24 - 35	Free volume dependence on electrical properties of Poly (styrene co-acrylonitrile)/Nickel oxide polymer nanocomposites Ningaraju S, Hegde VN, Prakash APG, Ravikumar HB
36 - 40	Bimolecular reactions of carbenes: Proton transfer mechanism Abu-Saleh AA, Almatarneh MH, Poirier RA
41 - 50	First-principles study of MoS2 and MoSe2 nanoclusters in the framework of evolutionary algorithm and density functional theory Hashemi Z, Rafiezadeh S, Hafizi R, Hashemifar SJ, Akbarzadeh H
51 - 59	Permeability and storage ability of inorganic X12Y12 fullerenes for lithium atom and ion Munsif S, Ayub K
60 - 66	Surface plasmon effect in electrodeposited diamond-like carbon films for photovoltaic application Ghosh B, Ray SC, Espinoza-Gonzalez R, Villarroel R, Hevia SA, Alvarez-Vega P
67 - 71	Conductivity equations of protons transporting through 2D crystals obtained with the rate process theory and free volume concept Hao T, Xu YZ, Hao T
72 - 76	Unusually high stability of B-12(BO)(12)(2-) achieved by boronyl ligand manipulation: Theoretical investigation Moon J, Baek H, Kim J
77 - 84	Sc2O@C-s(126339)-C-92: Di-scandium oxide cluster encapsulated into a large fullerene cage Gu YX, Li QZ, Li DH, Zhao RS, Zhao X
85 - 92	Structural, electronic structure and antibacterial properties of graphene-oxide nano-sheets Sharma A, Varshney M, Nanda SS, Shin HJ, Kim N, Yi DK, Chae KH, Won SO
93 - 96	A comment on "The interaction of X-2 (X = F, Cl, and Br) with active sites of graphite" [Xu et al., Chem. Phys. Lett., 418, 413 (2006)] Lechner C, Baranek P, Vach H
97 - 101	Electronic-state-driven adsorption of O-2 on a nanocrystalline TiO2 under 'dark' and UV-irradiation conditions: Ab initio study Kevorkyants R, Sboev MN, Chizhov YV
102 - 109	Electrochemical supramolecular recognition of hemin-carbon composites Le HTN, Jeong HK
110 - 113	A short note on the paper of Liu et al. (2012). A relative Lempel-Ziv complexity: Application to comparing biological sequences. Chemical Physics Letters, volume 530, 19 March 2012, pages 107-112 Arit T, Keskin B, Firuzan E, Cavas CK, Liu LW, Cavas L
114 - 119	NMR determination of solvent dependent behavior and XRD structural properties of 4-carboxy phenylboronic acid: A DFT supported study Dikmen G, Alver O, Parlak C
120 - 126	An explicitly correlated helium wave function in hyperspherical coordinates Habrovsky R
127 - 131	Acceptor number-dependent ultrafast photo-physical properties of push-pull chromophores using time-resolved methods Chi XC, Wang YH, Gao Y, Sui N, Zhang LQ, Wang WY, Lu R, Ji WY, Yang YQ, Zhang HZ
132 - 137	Insight into a conformation of the PNA-PNA duplex with (2 ' R,4 ' R)- and (2 ' R,4 ' S)-prolyl-(1S,2S)-2-aminocyclopentanecarboxylic acid backbones Maitarad A, Poomsuk N, Vilaivan C, Vilaivan T, Siriwong K
138 - 146	Nonadiabatic one-electron transfer mechanism for the O-O bond formation in the oxygen-evolving complex of photosystem II Shoji M, Isobe H, Shigeta Y, Nakajima T, Yamaguchi K
147 - 151	Synthesis, structural and optical properties of silver nanoparticles uniformly decorated ZnO nanowires Zhang KX, Wen X, Yao CB, Li J, Zhang M, Li QH, Sun WJ, Wu JD
152 - 156	Tunneling induced electron transfer between separated protons Vindel-Zandbergen P, Meier C, Sola IR
157 - 162	Formation process of graphite film on Ni substrate with improved thickness uniformity through precipitation control Kim SG, Hu Q, Nam KB, Kim MJ, Yoo JB
163 - 170	Infrared spectroscopy and density functional calculations on titanium-dinitrogen complexes Yoo HW, Choi C, Cho SG, Jung Y, Choi MY
171 - 175	Spin-orbit splitted excited states using explicitly-correlated equation-of-motion coupled-cluster singles and doubles eigenvectors Bokhan D, Trubnikov DN, Perera A, Bartlett RJ
176 - 180	An accurate computational method for the diffusion regime verification Zhokh AA, Strizhak PE
181 - 186	Pulsed laser-assisted ionic liquid electrodeposition of gallium nanoparticles and germanium nanostructures for energy storage Yu ZL, Meng XD, Yin M, Sun M, Yuan M, Li HB
187 - 194	Delocalization of frontier orbitals induced red emission for heptazine based thermally activated delayed fluorescence molecule: First-principles study Kang YX, Zhao LY, Leng JC
195 - 199	Assessing exchange-correlation functionals for elasticity and thermodynamics of alpha-ZrW2O8: A density functional perturbation theory study Weck PF, Kim E, Greathouse JA, Gordon ME, Bryan CR
200 - 205	Relaxed structure of typical nitro explosives in the excited state: Observation, implication and application Chu GB, Yang ZH, Xi T, Xin JT, Zhao YQ, He WH, Shui M, Gu YQ, Xiong Y, Xu T
206 - 210	Identification of the fragment of the 1-methylpyrene cation by mid-IR spectroscopy Jusko P, Simon A, Wenzel G, Brunken S, Schlemmer S, Joblin C
211 - 217	First-principles study of the effect of Cr and Al on the oxidation resistance of WSi2 Wang SL, Pan Y, Lin YH
218 - 222	Theoretical calculation of enthalpy of formation of multiconformational molecules: 1,2-ethanediol, propanediols, and glycerol Dorofeeva OV, Suchkova TA
223 - 226	Antigen-dependent fluorescence response of anti-c-Myc Quenchbody studied by molecular dynamics simulations Mori Y, Okumura H, Watanabe T, Hohsaka T
227 - 233	The vibrational spectrum of the hydrated alanine-leucine peptide in the amide region from IR experiments and first principles calculations Hassan I, Donati L, Stensitzki T, Keller BG, Heyne K, Imhof P
234 - 239	Li conduction pathways in solid-state electrolytes: Insights from dynamics and polarizability Takahashi T, Nagagiri K, Iwadate Y, Utsuno F, Yamaguchi H, Ohkubo T