Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.110, No.16 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (43 articles)

5225 - 5225	Tribute to John C. Light Bacic Z, Gray SK
5227 - 5227	Some comments from John C. Light Light JC
5235 - 5256	Low-dimensional manifolds in reaction-diffusion equations. 1. Fundamental aspects Davis MJ
5257 - 5272	Low-dimensional manifolds in reaction-diffusion equations. 2. Numerical analysis and method development Davis MJ
5273 - 5279	Ab initio treatment of the chemical reaction precursor complex Cl(P-2)-HF. 1. Three-dimensional diabatic potential energy surfaces Fishchuk AV, Wormer PES, van der Avoird A
5280 - 5288	Ab initio treatment of the chemical reaction precursor complex Cl(P-2)-HF. 2. Bound states and infrared spectrum Fishchuk AV, Groenenboom GC, van der Avoird A
5289 - 5294	Quantum mechanical study of the correlation of attack and recoil angles for the Cl+H-2 reaction using the stereodirected and discrete variable representations on two potential energy surfaces Skouteris D, Lagana A
5295 - 5304	A nested molecule-independent neural network approach for high-quality potential fits Manzhos S, Wang XG, Dawes R, Carrington T
5305 - 5311	Quantum statistical study of O+O-2 isotopic exchange reactions: Cross sections and rate constants Lin SY, Guo H
5312 - 5316	Quantum molecular dynamics study of the reaction of O-2 with HOCO Yu HG, Muckerman JT
5317 - 5325	Assignment and extraction of dynamics of a small molecule with a complex vibrational spectrum: Thiophosgene Jung C, Taylor HS, Sibert EL
5326 - 5332	Structural transitions and melting in LJ(74-78) Lennard-Jones clusters from adaptive exchange Monte Carlo simulations Mandelshtam VA, Frantsuzov PA, Calvo F
5333 - 5341	A self-consistent field quantum hydrodynamic approach for molecular clusters Derrickson SW, Bittiner ER
5342 - 5354	Photochemical processes induced by vibrational overtone excitations: Dynamics simulations for cis-HONO, trans-HONO, HNO3, and HNO3-H2O Miller Y, Chaban GM, Finlayson-Pitts BJ, Gerber RB
5355 - 5360	Molecular dynamics simulation of laser desorption of a fragment of protein kinase a from two MALDI matrices Wang C, Wong CF
5361 - 5370	Time-dependent sensitivity analysis of biological networks: Coupled MAPK and PI3K signal transduction pathways Hu DW, Yuan JM
5371 - 5378	Photodissociation of HBr. 1. Electronic structure, photodissociation dynamics, and vector correlation coefficients Smolin AG, Vasyutinskii OS, Balint-Kurti GG, Brown A
5379 - 5385	Photodissociation of cyclobutyl bromide at 234 nm studied using velocity map imaging Liu Y, Lau KC, Butler LJ
5386 - 5390	Hyperfine coupling constants of the azafullerenes C19N, C59N, C69N, and C75N Schrier J, Whaley KB
5391 - 5394	Excited states of weakly bound bosonic clusters: Discrete variable representation and quantum Monte Carlo Nightingale MP, Roy PN
5395 - 5410	Calculating multidimensional discrete variable representations from cubature formulas Degani I, Tannor DJ
5411 - 5419	Water dimers in the atmosphere III: Equilibrium constant from a flexible potential Scribano Y, Goldman N, Saykally RJ, Leforestier C
5420 - 5429	Comparison of perturbative and variational treatments of molecular vibrations: Application to the vibrational spectrum of HFCO up to 8000 cm(-1) Iung C, Ribeiro F, Sibert EL
5430 - 5435	Tunneling splitting of energy levels and rotational constants in the vinyl radical C2H3 Mil'nikov GV, Ishida T, Nakamura H
5436 - 5445	Coupled-states statistical investigation of vibrational and rotational relaxation of OH((2)Pi) by collisions with atomic hydrogen Atahan S, Alexander MH
5446 - 5449	Zero-point energy constraint in quasi-classical trajectory calculations Xie Z, Bowman JA
5450 - 5457	Photoelectron spectra of Ar-n center dot(IHI)(-) (n=0-6, 12, 20), a theoretical study Lopez JG, McCoy AB
5458 - 5463	Interactions of P-2 atoms with closed-shell diatomic molecules: Alternative diabatic representations for the electronic anisotropy Grinev TA, Tscherbul TV, Buchachenko AA, Cavalli S, Aquilanti V
5464 - 5467	Ab initio calculation of the low-lying vibrational states of C2H2(A) in full dimensionality Rheinecker J, Bowman JM
5468 - 5474	HOCl ro-vibrational bound-state calculations for nonzero total angular momentum Zhang H, Smith SC, Nanbu S, Nakamura H
5475 - 5480	Fully quantum rovibrational calculation of the He(H-2) bound and resonance states Xiao YS, Poirier B
5481 - 5486	Variational reduced-density-matrix theory applied to the potential energy surfaces of carbon monoxide in the presence of electric fields Gidofalvi G, Mazziotti DA
5487 - 5494	Rovibrational structures in floppy triatomics: Distributed Gaussian functions treatment for the Ne2H- system Baccarelli I, Gianturco FA, Gonzalez-Lezana T, Delgado-Barrio G, Miret-Artes S, Villarreal P
5495 - 5498	Bessel-Zernike discrete variable representation basis Cerjan C
5499 - 5503	Ro-vibrational states of triplet H2D Alijah A, Varandas AJC
5504 - 5512	General laser interaction theory in atom-diatom systems for both adiabatic and nonadiabatic cases Li X, Brue DA, Parker GA, Chang ST
5513 - 5519	A test of the continuous configuration time-dependent self-consistent field (CC-TDSCF) method on the H+CH4 reaction Zhang LL, Lee SY, Zhang DH
5520 - 5529	Six-dimensional potential energy surface and rovibrational energies of the HCCN radical in the ground electronic state Mladenovic M, Botschwina P, Puzzarini C
5530 - 5536	Quantum trajectory dynamics in arbitrary coordinates Rassolov VA, Garashchuk S, Schatz GC
5537 - 5541	Vibrational properties of disordered mono- and bilayers of physisorbed sulfur hexafluoride on Au(111) Rosenbaum AW, Freedman MA, Sibener SJ
5542 - 5548	Theoretical study of the complex-forming CH+H-2 -> CH2+H reaction Mayneris J, Saracibar A, Goldfield EM, Gonzalez M, Garcia E, Gray SK
5549 - 5560	Ab initio molecular dynamics with discrete variable representation basis sets: Techniques and application to liquid water Lee HS, Tuckerman ME
5561 - 5571	Theory of diatomic molecules in an external electromagnetic field from first quantum mechanical principles Sindelka M, Moiseyev N