Chemical Physics Letters

Chemical Physics Letters, Vol.635 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (65 articles)

1 - 12	Hydronium and hydroxide at the air-water interface with a continuum solvent model Duignan TT, Parsons DF, Ninham BW
13 - 15	Optical absorption spectrum of the chromium dimer cation: Measurements by photon-trap and photodissociation spectroscopy Egashira K, Terasaki A
16 - 22	Hydrogen bonds and asymmetrical heat diffusion in alpha-helices. A computational analysis Mino-Galaz GA, Gutierrez G
23 - 28	Adsorption of CO2 and O-2 on SiC nanosheet: Density functional theory study Shi CM, Chen YP, Qin HW, Li L, Hu JF
29 - 34	Formation of randomly distributed nano-tubes, -rods and -plates of n-type and p-type bismuth telluride via molecular legation Ram J, Ghosal P
35 - 39	Mechanical behavior of nanoporous Au with fine ligaments Pia G, Delogu F
40 - 44	Enhancing photoluminescence of trion in single-layer MoS2 using p-type aromatic molecules Su WT, Dou HL, Huo DX, Dai N, Yang L
45 - 49	A statistical study of heterogeneous nucleation of ice by molecular dynamics di Lorenzo AJB, Carignano MA, Pereyra RG
50 - 55	Quenching interaction of BSA with DTAB is dynamic in nature: A spectroscopic insight Das NK, Pawar L, Kumar N, Mukherjee S
56 - 59	On Saltiel's isopolarizability approach and its applicability to diphenylpolyenes Catalan J
60 - 62	Evidence for a precursor adcomplex during the metalation of 2HTPP with iron on Ag(100) Rockert M, Franke M, Tariq Q, Steinruck HP, Lytken O
63 - 68	Ground and excited states of [Be-Xe](+): A multireference configuration interaction study Niu XH, Zhu ZL, Yuan SJ
69 - 74	Restarted Pulay mixing for efficient and robust acceleration of fixed-point iterations Pratapa PP, Suryanarayana P
75 - 79	Jensen-Shannon and Kullback-Leibler divergences as quantifiers of relativistic effects in neutral atoms Martin AL, Lopez-Rosa S, Angulo JC, Antolin J
80 - 85	Effect of interphase percolation on mechanical behavior of nanoparticle-reinforced polymer nanocomposite with filler agglomeration: A multiscale approach Shin H, Yang S, Choi J, Chang S, Cho M
86 - 92	Extension of the fragment molecular orbital method to treat large open-shell systems in solution Nakata H, Fedorov DG, Kitaura K, Nakamura S
93 - 98	Synthesis and optical characterization of pure and nickel doped gallium nitride nanocrystals Kumar D, Singh K, Kumar P, Verma V, Bhatti HS
99 - 106	The structure of water-methanol mixtures under an electric field: Ab initio molecular dynamics simulations He J, Di Noto V, Paddison SJ
107 - 110	A constraint relationship between hardness and deformation of atomic particles Zeng WC
111 - 115	Atomic electronegativities in molecules Tognetti V, Morell C, Joubert L
116 - 119	The information content of the conditional pair probability Rincon L, Almeida R, Contreras PL, Torres FJ
120 - 126	The lanthanoid hydration properties beyond the'Gadolinium Break': Dysprosium (III) and holmium (III), an ab initio quantum mechanical molecular dynamics study Tirler AO, Passler PP, Rode BM
127 - 133	Replica exchange Hybrid Monte Carlo simulations of the ammonia dodecamer and hexadecamer Venditto JG, Wolf S, Curotto E, Mella M
134 - 138	Structural and spectral characteristics of neptunyl nitrates NpO2(NO3)(n)(q) (n=1-3, q =+1, 0,-1) and the hydrated complexes NpO2(NO3)(2)(H2O)(m) (m=1-4) Yin YP, Dong CZ, Ding XB
139 - 145	Interfacial and wetting properties of poly(3-hexylthiophene)-water systems Yimer YY, Yang B, Bhatta RS, Tsige M
146 - 151	Theoretical study on atmospheric reactions of fluoranthene and pyrene with N2O5/NO3/NO2 Wang YF, Yang B, Shu JN, Li NN, Zhang P, Sun WQ
152 - 156	Two-component relativistic time-dependent density functional theory study on spin-forbidden transitions for metal polypyridyl complexes Imamura Y, Kamiya M, Nakajima T
157 - 162	Effects of inherent rf field inhomogeneity on heteronuclear decoupling in solid-state NMR Purusottam RN, Bodenhausen G, Tekely P
163 - 167	Ultraviolet photodissociation spectroscopy of cold, isolated adenine complexes with a potassium cation Baek JY, Choi CM, Eun HJ, Park KS, Choi MC, Heo J, Kim NJ
168 - 173	Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities Karne AS, Vaval N, Pal S, Vasquez-Perez JM, Koster AM, Calaminici P
174 - 179	Ab initio study of the C plus HNC, N + C2H, H + C2N and H + CNC reactions Loison JC, Hickson KM
180 - 184	A quantum chemical study of novel carbon structures: Prism carbon tubes Ohno K, Tokoyama H, Yamakado H
185 - 189	Carbon nanotubes decorated by mesoporous cobalt oxide as electrode material for lithium-ion batteries Wenelska K, Neef C, Schlestein L, Klingeler R, Kalenczuk RJ, Mijowska E
190 - 195	Optical absorption and applications of the ABO(4) (A = Ca, Pb and B = Mo, W) semiconductors Tablero C
196 - 200	Elementary isotope effects - Sensitivity to potential energy shape Buchowiecki M
201 - 204	Improving DIIS convergence for metallic systems using Gaussian basis set Sulzer D, Iuchi S, Yasuda K
205 - 209	Theoretical investigations of physical stability, electronic properties and hardness of transition-metal tungsten borides WBx(x=2.5, 3) Feng SQ, Guo F, Li JY, Wang YQ, Zhang LM, Cheng XL
210 - 212	Making a happy match between orbital-free density functional theory and information energy density Alipour M
213 - 216	Study of autocatalytic oxidation reaction of silver nanoparticles and the application for nonenzymatic H2O2 assay Meng FY, Zhu XL, Miao P
217 - 223	DFT/TDDFT investigation on the electronic structures and photophysical properties of phosphorescent platinum(II) complexes with triarylboron/triarylnitrogen-functionalized N-heterocyclic carbene chelate ligands Shang XH, Han DM, Wan N, Zhou DF, Zhang G
224 - 227	Analysis of a two dimensional molecular Berry phase system Englman R
228 - 233	Shine blue and blue-green photoluminescence in BaZrO3-delta powders: An Ab-initio analysis of structural deformation Dhahri K, Bejar M, Dhahri E, Graca MFP, Zaoui A
234 - 240	Nanomaterial-assisted PCR based on thermal generation from magnetic nanoparticles under high-frequency AC magnetic fields Higashi T, Minegishi H, Echigo A, Nagaoka Y, Fukuda T, Usami R, Maekawa T, Hanajiri T
241 - 244	Recharge processes of paramagnetic centers during illumination in nitrogen-doped nanocrystalline titanium dioxide Le NT, Konstantinova EA, Kokorin AI, Kodom T, Alonso-Vante N
245 - 249	A comparison of Raman and photoluminescence spectra for the assessment of single-wall carbon nanotube sample quality Kastner M, Stahl S, Vollert I, Loi C, Ruhl N, Hertel T, Schoppler F
250 - 256	An energy decomposition analysis study for intramolecular non-covalent interaction Su PF, Chen ZC, Wu W
257 - 261	Choosing a density functional for static molecular polarizabilities Wu TZ, Kalugina YN, Thakkar AJ
262 - 267	Accurate non-covalent interaction energies via an efficient MP2 scaling procedure Fabiano E, Della Sala F, Grabowski I
268 - 272	Magnetic properties of LiFePO4 compound: A Monte Carlo study Masrour R, Jabar A, Benyoussef A, Hamedoun M, Hlil EK
273 - 277	Exploring NH (X-3 Sigma(-)) + D (S-2) -> N (S-4) + HD (X-1 Sigma(+)(g)) reaction with time-dependent wave packet method Zang KL, Zhang AJ, Jia JF, Wu HS
278 - 284	Simulations of tensile bond rupture in single alkane molecules using reactive interatomic potentials Nouranian S, Gwaltney SR, Baskes MI, Tschopp MA, Horstemeyer MF
285 - 289	The van der Waals potentials of MgCa, MgSr, MgBa, CaSr, CaBa, and SrBa Wei LM, Li P, Tang KT
290 - 294	Effect of Sn doping on properties of transparent ZnO thin films prepared by thermal evaporation technique Sheeba NH, Vattappalam SC, Naduvath J, Sreenivasan PV, Mathew S, Philip RR
295 - 300	Collisional energy transfer in polyatomic molecules at high temperatures: Master equation analysis of vibrational relaxation of shock-heated alkanes Matsugi A
301 - 305	Molecular interactions in the microsolvation of dimethylphosphate Rojas-Valencia N, Ibarguen C, Restrepo A
306 - 311	Vertically aligned hexagonal WO3 nanotree electrode for photoelectrochemical water oxidation Nukui Y, Srinivasan N, Shoji S, Atarashi D, Sakai E, Miyauchi M
312 - 320	New method for highly accurate calculations of the photodetachment cross-sections of the negatively charged hydrogen ions Frolov AM
321 - 327	Interference effects in the electron and positron scattering from molecules at intermediate and high energies Blanco F, Garcia G
328 - 333	Plasmon-enhanced fluorescence of dyes on silica-coated silver nanoparticles: A single-nanoparticle spectroscopy study Blake-Hedges JM, Greenspan SH, Kean JA, McCarron MA, Mendonca ML, Wustholz KL
334 - 338	A novel processing of carbon nanotubes grown on molecular sieve coated porous ceramics Mazumder S, Sarkar N, Park JG, Zhao W, Kim S, Kim IJ
339 - 344	Improving spectral resolution in biological solid-state NMR using phase-alternated rCW heteronuclear decoupling Equbal A, Bjerring M, Madhu PK, Nielsen NC
345 - 349	Electron wavepacket approaches to non-adiabatic transition processes in the internal rotational motion of H2CNH2+ - Charge oscillation due to electronic coherence Kunisada T, Ushiyama H, Yamashita K
350 - 354	Imaging detection of spin-polarized hydrogen atoms Broderick BM, Chernyak VY, Smolin AG, Vasyutinskii OS, Suits AG
355 - 359	Experimental and theoretical study on cation-pi interaction of the univalent silver cation with [7]helicene in the gas phase and in the solid state Makrlik E, Klepetarova B, Sykora D, Bohm S, Vanura P, Storch J
360 - 360	The effective temperature in microcanonical rate constants (vol 620, pg 43, 2015) Hansen K