Chemical Physics Letters

Chemical Physics Letters, Vol.647 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (36 articles)

1 - 6	Protein-water dynamics in antifreeze protein III activity Xu Y, Baumer A, Meister K, Bischak CG, DeVries AL, Leitner DM, Havenith M
7 - 13	Third order nonlinear optical properties of organometal halide-perovskite by means of the Z-scan technique Mirershadi S, Ahmadi-Kandjani S, Zawadzka A, Rouhbakhsh H, Sahraoui B
14 - 19	Pd supported ordered mesoporous hollow carbon spheres (OMHCS) for hydrogen storage Zielinska B, Michalkiewicz B, Chen XC, Mijowska E, Kalenczuk RJ
20 - 25	Effect of the partial charge distributions in the ZIF-8 framework on the adsorption of CO2 as assessed by Gibbs Ensemble Monte Carlo simulations Puphasuk P, Remsungnen T
26 - 30	Lone pair center dot center dot center dot pi interactions involving an aromatic pi-system: Complexes of hexafluorobenzene with dimethyl ether and trimethylamine Geboes Y, De Proft F, Herrebout WA
31 - 35	Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations Banerjee AS, Suryanarayana P, Pask JE
36 - 41	Effects of oxygen vacancy on 3d transition-metal doped anatase TiO2: First principles calculations Zhao YF, Li C, Lu S, Yan LJ, Gong YY, Niu LY, Liu XJ
42 - 45	Decision tree for the binding of dipeptides to the thermally fluctuating surface of cathepsin K Nishiyama K
46 - 50	A theoretical study on CO2 inserting into C-H bond Ma F, Miao T, Zhou ZJ, Xu HL
51 - 54	Facile synthesis of CuInS2 nanoparticles using different alcohol amines as solvent Guo JY, Chang G, Zhang W, Liu X, He YB
55 - 58	New thermal conductivity mechanism in triclinic 4-bromobenzophenone crystal Strzhemechny MA, Krivchikov AI, Jeowski A, Zloba DI, Buravtseva LM, Churiukova O, Horbatenko YV
59 - 63	Identification of metal s states in Sn-doped anatase by polarisation dependent hard X-ray photoelectron spectroscopy Regoutz A, Oropeza FE, Poll CG, Payne DJ, Palgrave RG, Panaccione G, Borgatti F, Agrestini S, Utsumi Y, Tsuei KD, Liao YF, Watson GW, Egdell RG
64 - 67	Alkyl substitution effect: A high mobility bistetracene derivatives Liu XY, Liu YJ, Zheng YJ
68 - 72	Laser-induced agglomeration of gold and silver nanoparticles dispersed in liquid Serkov AA, Kuzmin PG, Shafeev GA
73 - 78	Chemically synthesis and characterization of MnS thin films by SILAR method Yildirim MA, Yildirim ST, Cavanmirza I, Ates A
79 - 84	Facile calculation of Huckel molecular orbital eigenvalues of short (n,0) nanotubes Dias JR
85 - 88	Formation mechanisms of 3,4-dinitrofuroxan via nitration reaction of furoxan Peng YJ, Ye YQ, Liu JY, Lai WP
89 - 94	Isotropic-nematic transition and dynamics of rigid charged molecules Karatrantos A
95 - 102	Theoretical study on photophysical properties of 3'-hydroxyechinenone and the effects of interactions with orange carotenoid protein Otsuka M, Mori Y, Takano K
103 - 106	Molecular structures and protonation state of 2-Mercaptopyridine in aqueous solution Eckert S, Miedema PS, Quevedo W, O'Cinneide B, Fondell M, Beye M, Pietzsch A, Ross M, Khalil M, Fohlisch A
107 - 113	Davydov coupling as a factor influencing the H-bond IR signature: Computational study of the IR spectra of 3-thiopheneacrylic acid crystal Rekik N, Al-Agel FA, Flakus HT
114 - 116	A note on the interaction-induced electric quadrupole moment of two xenon atoms Maroulis G
117 - 121	Magnetic circular dichroism of chlorofullerenes: Experimental and computational study Stepanek P, Straka M, Sebestik J, Bour P
122 - 126	Universal all-particle explicitly-correlated Gaussians for non-Born-Oppenheimer calculations of molecular rotationless states Bubin S, Formanek M, Adamowicz L
127 - 131	Contrasting mechanisms for CO2 absorption and regeneration processes in aqueous amine solutions: Insights from density-functional tight-binding molecular dynamics simulations Nakai H, Nishimura Y, Kaiho T, Kubota T, Sato H
132 - 138	Gaussian-based range-separation approach on Hartree-Fock exchange interaction and second-order perturbation theory Shimazaki T, Nakajima T
139 - 144	A quantum-chemical study of the chlorophyll phosphorescence spectrum: Electron-vibrational coupling and coordination effects Etinski M, Petkovic M, Ristic MM
145 - 149	Nonequilibrium electronic phenomena and the chemical energy accommodation during heterogeneous recombination of atomic hydrogen on the manganese doped willemite Grankin DV, Grankin VP, Styrov VV, Sushchikh M
150 - 156	Isoelectronic substitution from Si-5(2-) to Al5H52-: Exploration of the series Si5-n(AlH)(n)(2-) (n=0-5) Fuenzalida-Valdivia I, Beltran MJ, Ferraro F, Vasquez-Espinal A, Tiznado W, Osorio E
157 - 160	Ultrafast relaxation of electronically-excited states of a styryl dye in the cavity of cucurbit[n]urils (n=6, 7) Petrov NK, Ivanov DA, Shandarov YA, Kryukov IV, Ivanov AA, Alfimov MV, Lobova NA, Gromov SP
161 - 164	The ArI2(ion-pair states) van der Waals complexes Baturo VV, Cherepanov IN, Lukashov SS, Poretsky SA, Pravilov AM
165 - 169	Au nanoparticles and graphene quantum dots co-modified glassy carbon electrode for catechol sensing Zhao X, He DW, Wang YS, Hu Y, Fu C
170 - 174	Confinement-induced vitrification of aqueous sodium chloride solutions Zhao LS, Pan LQ, Cao ZX, Wang Q
175 - 180	Hydrophobic recovery in ultrathin PDMS-coated long and short silicon nanowires Ganta D, Marry C, Ma J, Sinha S
181 - 184	Induction of protein crystallization by platinum nanoparticles Takeda Y, Mafune F
185 - 188	The astounding buckyball buckyball Bhattacharya D, Klein DJ, Ortiz Y