Chemical Physics Letters

Chemical Physics Letters, Vol.448, No.1-3 Entire volume, number list

ISSN: 0009-2614 (Print)

In this Issue (28 articles)

1 - 1	Gerhard Ertl Clary DC, Okumura M, Sundstrom V
3 - 6	Fluorescence of 1,8-naphthalimide: A PCM-TD-DFT investigation Jacquemin D, Perpete EA, Scalmani G, Frisch MJ, Ciofini I, Adamo C
7 - 10	Crossed beam reaction of the phenyl radical, (C6H5, X(2)A') with molecular oxygen (O-2, (XEg-)-E-3): Observation of the phenoxy radical, (C6H5O, X(2)A') Gu XB, Zhang FT, Kaiser RI
11 - 15	Photodissociation dynamics of benzoic acid monomer at 266 nm: The OH product channel Wei Q, Sun JL, Yue XF, Yin HM, Han KL
16 - 23	An ab initio study on the structure and energetics of the ClO hydrates Galvez O, Gomez PC
24 - 30	Isomers on the [S-2, F-2] potential energy surface: Straightening out experimental and theoretical findings using a high-level theoretical approach Ornellas FR
31 - 34	Microheterogeneities in binary solvent mixtures studied by electronic absorption spectra of a solvatochromic merocyanine dye Kaneko H, Hanami K, Yoshimura N, Takayanagi M
35 - 40	Crystal structures and electronic properties of MC2 (M = Mg, Ca, Sr, Ba) by comparative studies based on ab-initio calculations Xiao B, Feng J, Chen JC, Yu L
41 - 45	Temperature dependence of hydrated La3+ properties in liquid water, a molecular dynamics simulations study Duvail M, Spezia R, Cartailler T, Vitorge P
46 - 48	Putative mechanisms of peroxybicarbonate formation Maetzke A, Jensen SJK, Csizmadia IG
49 - 53	The vibronic effects in the 1(1)B(2) and 2(1)A(1) states of 1,3-dicyanomethylene croconate dianion: The resonance Raman study in terms of CASSCF and DFT methods Zazakowny P, Makowski M, Zomerska K, Pawlikowski MT
54 - 60	High nematic ordering in a bent-core smectogen showing a biaxial nematic phase: A C-13 NMR study Dong RY, Kumar S, Prasad V, Zhang J
61 - 64	Experimental equilibrium crystal structures: Molecular dynamics as a probe for atomic probability density functions Reilly AM, Wann DA, Morrison CA, Rankin DWH
65 - 69	Energy level alignment between sexithiophene and buckminsterfullerene films Ge Y, Whitten JE
70 - 74	Electrostatic potential gap at the interface between triethylamine and water phases studied by molecular dynamics simulation Kajimoto S, Yoshii N, Hobley J, Fukumura H, Okazaki S
75 - 82	Independence number and fullerene stability Fowler PW, Daugherty S, Myrvold W
83 - 87	Structure and stability of Fe4C bulk and surfaces: A density functional theory study Deng CM, Huo CF, Bao LL, Shi XR, Li YW, Wang JG, Jiao HJ
88 - 92	Theoretical study of adsorption of gallium and gallium nitrides on Si(111) Tzeli D, Petsalakis ID, Theodorakopoulos G
93 - 98	Anion induced SERS activation and quenching for R6G adsorbed on Ag nanoparticles Maruyama Y, Futamata M
99 - 105	Molecular orientation effects on two-photon absorption spectra of dimer systems Ohta S, Nakano M, Nate M, Kishi R, Takahashi H
106 - 110	Large magnetoresistance in rubrene-Co nano-composites Kusai H, Miwa S, Mizuguchi M, Shinjo T, Suzuki Y, Shiraishi M
111 - 114	Microscopic detail provided for the adsorption of protected amino-cyclopentene on Si(100) Santos HRR, Ramos MJ, Gomes JANF
115 - 120	Theoretical study in donor-acceptor carbon nanohorn-based hybrids Petsalakis ID, Pagona G, Tagmatarchis N, Theodorakopoulos G
121 - 126	The distinct vibrational signature of grain-boundary water in nano-crystalline ice films Kondo T, Kato HS, Kawai M, Bonn M
127 - 131	Four-photon upconversion induced by infrared diode laser excitation in rare-earth-ion-doped Y2O3 nanocrystals Chen GY, Liu Y, Zhang ZG, Aghahadi B, Somesfalean G, Sun Q, Wang FP
132 - 137	Inclusion of second-order correlation effects for the ground and singly-excited states suitable for the study of conical intersections: The CIS(2) model Laikov D, Matsika S
138 - 143	A new reactive potential for the molecular dynamics simulation of liquid water Hofmann DWM, Kuleshova L, D'Aguanno B
144 - 149	An ab initio relativistic coupled-cluster theory of dipole and quadrupole polarizabilities: Applications to a few alkali atoms and alkaline earth ions Sahoo BK