화학공학소재연구정보센터

Journal of Chemical Physics

Journal of Chemical Physics, Vol.114, No.24 Entire volume, number list
ISSN: 0021-9606 (Print) 

In this Issue (55 articles)

10569 - 10572 Electron transfer to oriented molecules: Surprising steric effect in t-butyl bromide
Harris SA, Brooks PR
10573 - 10576 Thermodynamic regulation of actin polymerization
Niranjan PS, Forbes JG, Greer SC, Dudowicz J, Freed KF, Douglas JF
10577 - 10578 Relationship between kinetics and thermodynamics of supercooled liquids
Mohanty U, Craig N, Fourkas JT
10579 - 10582 Stability and production of positron-diatomic molecule complexes
Mella M, Bressanini D, Morosi G
10583 - 10590 Scaling of classical rate constants on scaled potential-energy surfaces
Kim MS, Park ST, Sung BJ, Moon JH
10591 - 10597 Exchange energy functionals based on the full fourth-order density matrix expansion
Maximoff SN, Scuseria GE
10598 - 10607 Vibration-rotation kinetic energy operators: A geometric algebra approach
Pesonen J
10608 - 10615 Direct semiclassical simulation of photochemical processes with semiempirical wave functions
Granucci G, Persico M, Toniolo A
10616 - 10622 Self-consistent field algorithms for Kohn-Sham models with fractional occupation numbers
Cances E
10623 - 10637 Quantum dissipative master equations: Some exact results
Zhao Y, Chen GH
10638 - 10650 Problematic p-benzyne: Orbital instabilities, biradical character, and broken symmetry
Crawford TD, Kraka E, Stanton JF, Cremer D
10651 - 10661 Exact three-dimensional quantum mechanical calculation of ozone photodissociation in the Hartley band
Lin SY, Han KL, He GZ
10662 - 10672 Experimental and theoretical differential cross sections for the reactions Cl+H-2/D-2
Skouteris D, Werner HJ, Aoiz FJ, Banares L, Castillo JF, Menendez M, Balucani N, Cartechini L, Casavecchia P
10673 - 10681 An ab initio study of the betaine anion-dipole-bound anionic state of a model zwitterion system
Rak J, Skurski P, Gutowski M
10682 - 10694 The (X)over-tilde B-2(1), B-2(2), (2)A(1), and (2)A(2) states of oxygen difluoride cation (F2O+): High-level ab initio calculations and simulation of the ultraviolet photoelectron spectrum of F2O
Wang DC, Chau FT, Mok DKW, Lee EPF, Beeching L, Ogden JS, Dyke JM
10695 - 10701 Electronic structure studies of six-atom gold clusters
Omary MA, Rawashdeh-Omary MA, Chusuei CC, Fackler JP, Bagus PS
10702 - 10710 Isomerizations and relative kinetic stability of LJ(n) clusters in a carrier gas
Curotto E
10711 - 10716 Interpolated potential-energy surface and reaction dynamics for BH++H-2
Fuller RO, Bettens RPA, Collins MA
10717 - 10724 A Drude-model approach to dispersion interactions in dipole-bound anions
Wang F, Jordan KD
10725 - 10727 The E-1 Sigma(+)(g) state of lithium dimer revised
Jastrzebski W, Pashov A, Kowalczyk P
10728 - 10732 Single vibronic level emission spectroscopy of jet-cooled HSiF and DSiF
Hostutler DA, Clouthier DJ, Judge RH
10733 - 10737 A theoretical study of the nitrogen clusters formed from the ions N-3(-), N-5(+), and N-5(-)
Gagliardi L, Orlandi G, Evangelisti S, Roos BO
10738 - 10748 Electronic structure and chemical bonding of 3d-metal dimers ScX, X=Sc-Zn
Gutsev GL, Jena P, Rao BK, Khanna SN
10749 - 10756 Structures, energies, and vibrational spectra of water undecamer and dodecamer: An ab initio study
Lee HM, Suh SB, Kim KS
10757 - 10767 Ground state electronic structures and spectra of zinc complexes of porphyrin, tetraazaporphyrin, tetrabenzoporphyrin, and phthalocyanine: A density functional theory study
Nguyen KA, Pachter R
10768 - 10772 (A)over-tilde (2)Pi(u) state-intermediated two-photon dissociation of CS2+ via the first channel
Zhang LM, Chen J, Xu HF, Dai JH, Liu SL, Ma XX
10773 - 10779 The spectrum of an octahedral molecule in a degenerate electronic state: The nu(6) fundamental band of jet-cooled V(CO)(6)
Rey M, Boudon V, Loete M, Asselin P, Soulard P, Manceron L
10780 - 10790 A restricted dimensionality quasiclassical trajectory study of H-2(v,0)+H-2(v ',0)
Mandy ME, Rothwell TA, Martin PG
10791 - 10797 Theoretical study on electronic excitation spectra of Mo and Re cluster complexes: [(Mo6Cl8)Cl-6](2-) and [(Re6S8)Cl-6](4-)
Honda H, Noro T, Tanaka K, Miyoshi E
10798 - 10804 Investigation of collisional quenching of CCl2 ((A)over-tilde B-1(1) and (a)over-tilde B-3(1)) by alkanes
Gao YD, Pei LS, Chen Y, Chen CX
10805 - 10810 Nonadiabatic g-u mixing of the F (1)Sigma(+)(g) and 2 (1)Sigma(+)(u) states of (LiLi)-Li-6-Li-7
Li L, Kasahara S, Kabir MH, Sahashi Y, Baba M, Kato H
10811 - 10815 Long-range potential energy curves for the X (1)Sigma(+) and a (3)Sigma(+) states of NaRb
Zemke WT, Stwalley WC
10816 - 10834 The role of the ground and excited potential energy surfaces in the O(D-1 and P-3)+SiH4 reactions: A theoretical study
Nguyen TL, Mebel AM, Lin SH
10835 - 10844 Relative product yields in the one-photon and vibrationally mediated photolysis of isocyanic acid (HNCO)
Berghout HL, Hsieh S, Crim FF
10845 - 10853 Satellite transition magic-angle spinning nuclear magnetic resonance spectroscopy of half-integer quadrupolar nuclei
Gan ZH
10854 - 10859 Dynamics of the nuclear magnetic resonance COSY-revamped by asymmetric z-gradients (CRAZED) experiment
Ramanathan C, Bowtell R
10860 - 10871 Configuration interaction of Pr3+ in PrCl63-
Tanner PA, Mak CSK, Faucher MD
10872 - 10883 Pressure and temperature dependences of the relaxation dynamics of cresolphthalein-dimethylether: Evidence of contributions from thermodynamics and molecular interactions
Paluch M, Ngai KL, Hensel-Bielowka S
10884 - 10898 Wavelength selective modulation in femtosecond pump-probe spectroscopy and its application to heme proteins
Rosca F, Kumar ATN, Ionascu D, Sjodin T, Demidov AA, Champion PM
10899 - 10909 A nonanalytic model for the generic van der Waals equation of state and the critical behavior of simple fluids
Eu BC
10910 - 10921 Interaction induced effects in the nonlinear Raman response of liquid CS2: A finite field nonequilibrium molecular dynamics approach
Jansen TIC, Snijders JG, Duppen K
10922 - 10926 Curvature effect on surface diffusion: The nanotube
Shu DJ, Gong XG
10927 - 10931 Lattice-gas study of the kinetics of catalytic conversion of NO-CO mixtures on rhodium surfaces
Bustos V, Gopinath CS, Unac R, Zaera F, Zgrablich G
10932 - 10937 Configurational entropy for adsorbed linear species (k-mers)
Roma F, Ramirez-Pastor AJ, Riccardo JL
10938 - 10947 Electrolytes at charged interfaces: Pair integral equation approximations for model 2-2 electrolytes
Eaton AC, Haymet ADJ
10948 - 10953 Monte Carlo simulations of Ca-montmorillonite hydrates
Chavez-Paez M, dePablo L, dePablo JJ
10954 - 10962 Analysis of H-2 dissociation dynamics on the Pd(111) surface
Crespos C, Busnengo HF, Dong W, Salin A
10963 - 10967 Pattern formation and evolution in diblock copolymer thin films above the order-disorder transition
Masson JL, Limary R, Green PF
10968 - 10976 Exotic phase transitions in disordered globular networks
Gutman L, Shakhnovich E
10977 - 10978 Phase transitions in mixed adsorbed layers: Effect of repulsion between "hard squares" and "point particles"
Liu DJ, Evans JW
10979 - 10979 A universal formula for dispersion coefficients between alkali atoms
Ahna CJ, Tang KT
10980 - 10981 Comment on "Quasiresonant vibration-rotation transfer: A kinematic interpretation" [J. Chem. Phys. 111, 7697 (1999)]
Miklavc A
10982 - 10984 Response to "Comment on 'Quasiresonant vibration-rotation transfer: A kinematic interpretation' " [J. Chem. Phys. 114, 10980 (2001)]
McCaffery AJ, Marsh RJ
10985 - 10985 A full configuration interaction and coupled-cluster study of the potential-energy surfaces for the lowest singlet excited state of N-2 (vol 113, pg 6677, 2000)
Larsen H, Olsen J, Jorgensen P, Christiansen O
10986 - 10986 Relativistic dynamics of two spin-half particles in a homogeneous magnetic field (vol 114, pg 1478, 2001)
Datta SN, Misra A