Journal of Chemical Physics

Journal of Chemical Physics, Vol.117, No.3 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (47 articles)

961 - 964	Large blueshift of the H-Kr stretching frequency of HKrCl upon complexation with N-2 Lignell A, Khriachtchev L, Pettersson M, Rasanen M
965 - 979	Stress, virial, and pressure in the theory of atoms in molecules Pendas AM
980 - 990	A general state-selective multireference coupled-cluster algorithm Kallay M, Szalay PG, Surjan PR
991 - 1000	Quantization of the 3x3 nonadiabatic coupling matrix for three coupled states of the C2H molecule Mebel AM, Halasz GJ, Vibok A, Alijah A, Baer M
1001 - 1009	Constant-temperature molecular-dynamics algorithms for mixed hard-core/continuous potentials Houndonougbo YA, Laird BB
1010 - 1016	A linear response approach to second-order electronic transition intensities for multiconfigurational self-consistent field wave functions Stalring J, Bernhardsson A, Malmqvist PA
1017 - 1023	Hirshfeld surfaces as approximations to interatomic surfaces Pendas AM, Luana V, Pueyo L, Francisco E, Mori-Sanchez P
1024 - 1030	Closed loop learning control with reduced space quantum dynamics Kim YS, Rabitz H
1031 - 1039	A new theoretical insight into the nature of intermolecular interactions in the molecular crystal of urea Gora RW, Bartkowiak W, Roszak S, Leszczynski J
1040 - 1046	Photofragment emission yield spectroscopy of acetylene in the (D)over-tilde (1)Pi(u), (E)over-tilde (1)A, and (F)over-tilde (1)Sigma(+)(u) states by vacuum ultraviolet and infrared vacuum ultraviolet double-resonance laser excitations Kono M, Hoshina K, Yamanouchi K
1047 - 1054	On the spectroscopy of AgCl: A complete active space self-consistent field plus averaged coupled pair functional study Ramirez-Solis A
1055 - 1067	Photoionization dynamics of the B E-1'' state of ammonia Pratt ST
1068 - 1076	Quantum beats and Zeeman spectra of glyoxal from superposition of singlet and triplet states Chang C, Chen IC
1077 - 1084	A computational study of photoisomerization in Al3O3- clusters Cui XY, Morrison I, Han JG
1085 - 1097	Comparison of electronic decay of valence ionized fluorinated carbanions and their acids Muller IB, Zobeley J, Cederbaum LS
1098 - 1102	Mass spectrometric study of double photoionization of HBr molecules Alagia M, Boustimi M, Brunetti BG, Candori P, Falcinelli S, Richter R, Stranges S, Vecchiocattivi F
1103 - 1108	Dynamics of proton-acetylene collisions at 30 eV Malinovskaya SA, Cabrera-Trujillo R, Sabin JR, Deumens E, Ohrn Y
1109 - 1122	The formation of cyclic water complexes by sequential ring insertion: Experiment and theory Burnham CJ, Xantheas SS, Miller MA, Applegate BE, Miller RE
1123 - 1129	Photodissociation of CSCl2 at 235 nm: Kinetic energy distributions and branching ratios of Cl atoms and CSCl radicals Einfeld TS, Maul C, Gericke KH, Chichinin A
1130 - 1138	Dissociative ionization of ICl studied by ion imaging spectroscopy Yamada H, Taniguchi N, Kawasaki M, Matsumi Y, Gordon RJ
1139 - 1154	Isotropic and anisotropic Raman scattering from molecular liquids measured by spatially masked optical Kerr effect spectroscopy Fecko CJ, Eaves JD, Tokmakoff A
1155 - 1165	Local composition fluctuations in strongly nonideal binary mixtures Murarka RK, Bagchi B
1166 - 1172	Reconstruction of interatomic vectors by principle component analysis of nuclear magnetic resonance data in multiple alignments Hus JC, Bruschweiler R
1173 - 1180	Simulations of vibrational relaxation in dense molecular fluids. II. Generalized treatment of thermal equilibration between a sample and a reservoir Holian BL
1181 - 1187	Liquid xenon as an ideal probe for many-body effects in impulsive Raman scattering Boeijenga NH, Pugzlys A, Jansen TIC, Snijders JG, Duppen K
1188 - 1193	Dielectric and mechanical relaxation of cresolphthalein-dimethylether Paluch M, Roland CM, Best A
1194 - 1200	Nuclear spin relaxation in ligands outside of the first coordination sphere in a gadolinium (III) complex: Effects of intermolecular forces Kruk D, Kowalewski J
1201 - 1213	A direct interrogation of superfluidity on molecular scales Benderskii AV, Eloranta J, Zadoyan R, Apkarian VA
1214 - 1219	Calculation of binary hard-sphere mixture radial distribution functions at contact from an equation of state Viduna D, Smith WR
1220 - 1230	Vibrational dynamics as an indicator of short-time interactions in glass-forming liquids and their possible relation to cooperativity Kirillov SA, Yannopoulos SN
1231 - 1241	Three-particle contribution to sedimentation and collective diffusion in hard-sphere suspensions Cichocki B, Ekiel-Jezewska ML, Szymczak P, Wajnryb E
1242 - 1255	A polarizable mixed Hamiltonian model of electronic structure for micro-solvated excited states. I. Energy and gradients formulation and application to formaldehyde ((1)A(2)) Dupuis M, Aida M, Kawashima Y, Hirao K
1256 - 1268	A polarizable mixed Hamiltonian model of electronic structure for solvated excited states. II. Application to the blue shift of the H2CO (1)(pi(*)<- n) excitation in water Dupuis M, Kawashima Y, Hirao K
1269 - 1278	Dynamics of anions and cations in hydrogensulfides of alkali metals (NaHS, KHS, RbHS): A proton nuclear magnetic resonance study Haarmann F, Jacobs H, Senker J, Rossler E
1279 - 1289	Electron transfer in the D-B-A model system: A vibronic analysis Villani G
1290 - 1295	Stability of casein micelles in milk Tuinier R, de Kruif CG
1296 - 1301	Near-field Raman imaging of organic molecules by an apertureless metallic probe scanning optical microscope Hayazawa N, Inouye Y, Sekkat Z, Kawata S
1302 - 1312	Effects of morphology on the electronic and transport properties of Sn-based clathrates Mollnitz L, Blake NP, Metiu H
1313 - 1319	Lattice dynamics and methyl rotational excitations of 2-butyne Kirstein O, Prager M, Johnson MR, Parker SF
1320 - 1327	Hopping dynamics of ions and polarons in disordered materials: On the potential of nonlinear conductivity spectroscopy Roling B
1328 - 1335	Theoretical calculation of the electro-absorption spectrum of the alpha-sexithiophene single crystal Andrzejak M, Petelenz P, Slawik M, Munn RW
1336 - 1350	Heterogeneous structure of poly(vinyl chloride) as the origin of anomalous dynamical behavior Arbe A, Moral A, Alegria A, Colmenero J, Pyckhout-Hintzen W, Richter D, Farago B, Frick B
1351 - 1362	Depletion interactions in suspensions of spheres and rod-polymers Chen YL, Schweizer KS
1363 - 1376	Energy landscapes of model polyalanines Mortenson PN, Evans DA, Wales DJ
1377 - 1384	Diffusion-assisted long-range reaction between the ends of a polymer: Effective sink approximation Barzykin AV, Seki K, Tachiya M
1385 - 1394	Polyelectrolytes confined to spherical cavities Pais AACC, Miguel MG, Linse P, Lindman B
1395 - 1402	Fluorescence dynamics of phenyl-substituted polyphenylenevinylene-trinitrofluorenone blend systems Im C, Lupton JM, Schouwink P, Heun S, Becker H, Bassler H