Journal of Chemical Physics

Journal of Chemical Physics, Vol.109, No.4 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (45 articles)

1209 - 1211	New final state in the autoionization decay detected for N-2/(2x2)K/graphite : Relevance for the affinity level of NO on a K monolayer Puglia C, Bruhwiler PA, Hasselstrom J, Bennich P, Nilsson A, Martensson N
1212 - 1222	Quadratic response calculations of the electronic spin-orbit contribution to nuclear shielding tensors Vaara J, Ruud K, Vahtras O, Agren H, Jokisaari J
1223 - 1229	6-31G* basis set for atoms K through Zn Rassolov VA, Pople JA, Ratner MA, Windus TL
1230 - 1237	Properties of electron density and other one-electron observables derived from generalized Hiller-Sucher-Feinberg identities Cioslowski J, Lopez-Boada R
1238 - 1244	Ab initio theoretical study of dipole-bound anions of molecular complexes : Water tetramer anions Smith DMA, Smets J, Elkadi Y, Adamowicz L
1245 - 1250	Atomic and electronic structure of neutral and charged SinOm clusters Nayak SK, Rao BK, Khanna SN, Jena P
1251 - 1258	Intersystem crossing-rate constants from the (0,4,1) and (1,2,1) levels of the (A)over-tilde (1)A(2) to (a)over-tilde B-3(1) state of SO2 Bae SC, Yoo HS, Ku JK
1259 - 1263	Chiral discrimination in molecular excitation transfer Craig DP, Thirunamachandran T
1264 - 1270	Photochemistry of (OCS)(n)(-) cluster ions Sanov A, Nandi S, Jordan KD, Lineberger WC
1271 - 1284	Ab initio based potential energy surfaces, microwave spectrum, and scattering cross section of the ground state Ne-Cl-2 system Naumkin FY, McCourt FRW
1285 - 1292	High-resolution pulses field ionization photoelectron study of O-2 : Predissociation lifetimes and high-n Rydberg lifetimes converging to O-2(+)(c (4)Sigma(-)(u), v(+)=0,1) Evans M, Stimson S, Ng CY, Hsu CW
1293 - 1301	Picosecond real time study of the bimolecular reaction O(P-3)+C2H4 and the unimolecular photodissociation of CH3CHO and H2CO Abou-Zied OK, McDonald JD
1302 - 1309	Rotational excitation of OH in collisions with CO, N-2, and CO2 van Beek MC, Schreel K, ter Meulen JJ
1310 - 1314	Electronic coupling matrix element for electronic excitation energy transfer : S-1+S-1 -> S-2+S-0 excited state annihilation Harcourt RD, Ghiggino KP, Scholes GD, Steer RP
1315 - 1323	The ultraviolet photodissociation of Cl2O at 235 nm and of HOCl at 235 and 266 nm Tanaka Y, Kawasaki M, Matsumi Y, Fujiwara H, Ishiwata T, Rogers LJ, Dixon RN, Ashfold MNR
1324 - 1328	Vibrationally resolved threshold photoelectron-photoion coincidence spectra of ArKr Morioka Y, Tanaka T, Yoshii H, Hayaishi T
1329 - 1333	Resonance-enhanced multiphoton electron detachment (REMPED) spectra of C-10(-) and C-11(-) Ohara M, Suwa M, Ishigaki T, Shiromaru H, Achiba Y, Kratschmer W
1334 - 1342	Ab initio study for the low-lying electronic states of Al-3 and Al-3(-) : The photoelectron spectroscopy of Al-3(-) Baeck KK, Bartlett RJ
1343 - 1351	Quantum Monte Carlo simulations of Ar-n-CO2 clusters Severson MW
1352 - 1358	Raman resonance de-enhancement in the excitation profile of CS2 Wu M, Ray M, Sedlacek AJ
1359 - 1365	A mechanism of photodissociation of diphenylmethane to a diphenylmethyl radical in solution Fujiwara M, Yamasaki A, Mishima K, Toyomi K
1366 - 1374	Manipulation of nuclear spin Hamiltonians by rf-field modulations and its applications to observation of powder patterns under magic-angle spinning Ishii Y, Terao T
1375 - 1390	The anharmonic features of the short-time dynamics of fluids : The time evolution and mixing of instantaneous normal modes David EF, Stratt RM
1391 - 1396	Study of hyper-Rayleigh scattering and two-photon absorption induced fluorescence from crystal violet Chui TW, Wong KY
1397 - 1408	Femtosecond ultraviolet-visible absorption study of all-trans -> 13-cis center dot 9-cis photoisomerization of retinal Yamaguchi S, Hamaguchi H
1409 - 1424	Theoretical and electron spin resonance studies of the H center dot center dot center dot H, H center dot center dot center dot D, and D center dot center dot center dot D spin-pair radicals in rare gas matrices : A case of extreme singlet-triplet mixing Knight LB, Rice WE, Moore L, Davidson ER, Dailey RS
1425 - 1434	A comparison of ground- and excited-state properties of gas phase and crystalline ruthenocene using density functional theory Gilardoni F, Weber J, Hauser A, Daul C
1435 - 1444	Relationship of phase diagrams and surfaces of new phase nucleation rates Anisimov MP, Hopke PK, Rasmussen DH, Shandakov SD, Pinaev VA
1445 - 1455	A molecular dynamics study of the Cr3+ hydration based on a fully flexible hydrated ion model Martinez JM, Pappalardo RR, Marcos ES
1456 - 1464	A theoretical study of the near-edge x-ray absorption spectra of some larger amino acids Carravetta V, Plashkevych O, Agren H
1465 - 1471	A modification of the generalized Born theory for improved estimates of solvation energies and pK shifts Jayaram B, Liu Y, Beveridge DL
1472 - 1477	Fragility under pressure : Diamond anvil cell viscometry of ortho-terphenyl and salol Schug KU, King HE, Bohmer R
1478 - 1485	Water confined in Vycor glass. I. A neutron diffraction study Bruni F, Ricci MA, Soper AK
1486 - 1494	Water confined in Vycor glass. II. Excluded volume effects on the radial distribution functions Soper AK, Bruni F, Ricci MA
1495 - 1504	Quantum chemical study on the oxidation process of a hydrogen terminated Si surface Teraishi K, Takaba H, Yamada A, Endou A, Gunji I, Chatterjee A, Kubo M, Miyamoto A, Nakamura K, Kitajima M
1505 - 1516	Model of laser-driven mass transport in thin films of dye-functionalized polymers Barrett CJ, Rochon PL, Natansohn AL
1517 - 1521	A Voronoi analysis of lipid area fluctuation in a bilayer Shinoda W, Okazaki S
1522 - 1527	Monte Carlo study of adsorption of a polyelectrolyte onto charged surfaces Kong CY, Muthukumar M
1528 - 1539	Hydration of a B-DNA fragment in the method of atom-atom correlation functions with the reference interaction site model approximation Tikhonov DA, Polozov RV, Timoshenko EG, Kuznetsov YA, Gorelov AV, Dawson KA
1540 - 1544	Polymer adsorption on planar random surfaces Sumithra K, Baumgaertner A
1545 - 1554	Smoothing the landscapes of protein folding : Insights from a minimal model Betancourt MR
1555 - 1566	Density functional approach to study the elastic constants of biaxial nematic liquid crystals Longa L, Stelzer J, Dunmur D
1567 - 1574	Finding the low-energy forms of avian pancreatic polypeptide with the diffusion-process-controlled Monte Carlo method Derreumaux P
1575 - 1583	Oscillatory shear induced anisotropic domain growth and related rheological properties of binary mixtures Qiu F, Zhang HD, Yang YL
1584 - 1584	Absence of high-density consolute point in nematic hard rod mixtures (vol 105, pg 11237, 1996) van Roij R, Mulder B