Chemical Physics Letters

Chemical Physics Letters, Vol.648 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (38 articles)

1 - 7	From gas-phase to liquid water chemical reactions: The F + (H2O)(n), n=1-4 systems Li GL, Xie YM, Schaefer HF
8 - 12	Solid state synthesis and tunable luminescence of Li2SrSiO4:Eu2+/Ce3+ phosphors Wei Z, Wang YL, Zhu XB, Guan JY, Mao WX, Song JJ
13 - 18	Phase transitions in I2O5 at high pressures: Raman and X-ray diffraction studies Kim M, Yoo CS
19 - 24	Fluorescence excitation spectra of all-trans-1,6-diphenylhexatriene conformers: Adiabatic conformer equilibration in the 2(1)Ag state Turek AM, Krishna TSR, Brela M, Saltiel J
25 - 30	Interaction of atomic hydrogen with anthracene and polyacene from density functional theory Ferullo RM, Castellani NJ, Belelli PG
31 - 35	Determination of enthalpies of formation of energetic molecules with composite quantum chemical methods Manaa MR, Fried LE, Kuo IFW
36 - 40	Optical reflectance in free-standing smectic films Sliwa I
41 - 46	Geometries, stabilities, and electronic properties of tungsten encapsulated nanosize irregular B-n (n=20, 24, 28, and 32) fullerenes: A density functional investigation Zhao RN, Yuan YH, Han JG, Duan YH
47 - 52	Computational studies on linear, second and third-order nonlinear optical properties of novel styrylquinolinium dyes Karakas A, Karakaya M, Taser M, Ceylan Y, Gozutok A, Arof AK, El Kouari Y, Sahraoui B
53 - 59	Electron density topography based model to explore N-methyl-D-aspartate receptor channel blockers Ingle SV, Joshi KA
60 - 65	Theoretical study on spin-forbidden transitions of osmium complexes by two-component relativistic time-dependent density functional theory Imamura Y, Kamiya M, Nakajima T
66 - 74	Effect of chemical and physical doping with iodine on the optical and dielectric properties of poly(vinyl chloride) El-Ghamaz NA, Ghaly HA
75 - 80	Understanding effect of structure and stability on transformation of CH4 hydrate to CO2 hydrate Liu JX, Yan YJ, Liu HY, Xu JF, Zhang J, Chen G
81 - 86	Novel alpha- and beta-type boron sheets: Theoretical insight into their structures, thermodynamic stability, and work functions Zheng B, Yu HT, Lian YF, Xie Y
87 - 90	Electric behavior of interlayer water in graphene oxide films Smirnov VA, Vasil'ev VP, Denisov NN, Baskakova YV, Dubovitskii VA
91 - 96	Second- and third-order nonlinear optical properties of unsubstituted and mono-substituted chalcones Abegao LMG, Fonseca RD, Santos FA, Souza GB, Barreiros ALBS, Barreiros ML, Alencar MARC, Mendonca CR, Silva DL, De Boni L, Rodrigues JJ
97 - 101	A theoretical investigation on the transport properties of armchair biphenylene nanoribbons Ge HY, Wang G, Liao Y
102 - 108	Structural and dipolar fluctuations in liquid water: A Car-Parrinello molecular dynamics study Skarmoutsos I, Masia M, Guardia E
109 - 113	Continuum-atomistic simulation of picosecond laser heating of copper with electron heat capacity from ab initio calculation Ji PF, Zhang YW
114 - 118	Enhanced microscopic nonlinear optical properties of novel Y-type chromophores with dual electron donor groups Tang X, Pan L, Jia K, Tang XZ
119 - 123	A screened automated structural search with semiempirical methods Ota Y, Ruiz-Barragan S, Machida M, Shiga M
124 - 129	Monitoring changes of paramagnetically-shifted P-31 signals in phospholipid vesicles Joyce RE, Williams TL, Serpell LC, Day IJ
130 - 136	Location dependent orientational structure and dynamics of ethanein ZSM5 Gautam S, Liu TT, Patankar S, Tomasko D, Cole D
137 - 142	Electric field induced modification of magnetism in platinum tripod on pt (111) surface Rana TH, Kashyap A, Biswas S, Sabirianov RF
137 - 142	Influence of the strength of polarizing electric field on free relaxation of electric birefringence in poly(butyl-isocyanate) solutions Tsvetkov NV, Mikhailova ME, Lebedeva EV, Lezov AA, Rogozhin VB, Rotinyan TA
143 - 146	Synthesis of high saturation magnetization FeCo nanoparticles bypolyol reduction method Yang FJ, Yao J, Min JJ, Li JH, Chen XQ
147 - 151	A new four-dimensional potential energy surface of the Ar-CS2 complex: Dependence on the symmetric and antisymmetric stretching vibrations of CS2 Shang J, Yuan T, Zhu H
152 - 155	OLi3O- anion: Designing the strongest base to date using OLi3 superalkali Srivastava AK, Misra N
161 - 165	Mechanisms of monovacancy diffusion in graphene Wadey JD, Markevich A, Robertson A, Warner J, Kirkland A, Besley E
166 - 169	NH3 adsorption on PtM (Fe, Co, Ni) surfaces: Cooperating effects of charge transfer, magnetic ordering and lattice strain Bhattacharjee S, Yoo SJ, Waghmare UV, Lee SC
170 - 177	Exploring host-guest complexation mechanisms by a molecular dynamics/quantum mechanics/continuum solvent model approach Ye RL, Nie X, Zhou Y, Wong CF, Gong X, Jiang W, Tang WH, Wang YA, Heine T, Zhou BJ
178 - 181	Gate opening effect for carbon dioxide in ZIF-8 by molecular dynamics -Confirmed, but at high CO2 pressure Chokbunpiam T, Fritzsche S, Chmelik C, Caro J, Janke W, Hannongbua S
182 - 188	Polyethylene glycol gold-nanoparticles: Facile nanostructuration of doxorubicin and its complex with DNA molecules for SERS detection Spadavecchia J, Perumal R, Casale S, Krafft JM, Methivier C, Pradier CM
189 - 194	Geometrical structure of meta-xylylene based symmetric polyradicals and their magnetic nature: A density functional study Pal AK, Kumar A, Datta SN
195 - 199	Spectroscopic investigation of a brightly colored psittacofulvin pigment from parrot feathers Adamec F, Greco JA, LaFountain AM, Magdaong NM, Fuciman M, Birge RR, Polivka T, Frank HA
200 - 203	Comment on "Quantum trajectory tests of radical-pair quantum dynamics in CIDNP measurements of photosynthetic reaction centers" [Chem. Phys. Lett. 640 (2015) 40-45] Jeschke G
204 - 207	Reply to the comment on "Quantum trajectory tests of radical-pair quantum dynamics in CIDNP measurements of photosynthetic reaction centers" by G. Jeschke Kominis IK
208 - 208	The connection between robustness angles and dissymmetry factors in vibrational circular dichroism spectra (vol 639, pg 320, 2015) Longhi G, Tommasini M, Abbate S, Polavarapu PL