화학공학소재연구정보센터

Journal of Chemical Physics

Journal of Chemical Physics, Vol.112, No.16 Entire volume, number list
ISSN: 0021-9606 (Print) 

In this Issue (41 articles)

6949 - 6952 First-order intermolecular interaction energies from coupled-cluster Brueckner orbitals
Hesselmann A, Jansen G
6953 - 6955 Influence of the treatment of electrostatic interactions on the results of free energy calculations of dipolar systems
Brunsteiner M, Boresch S
6956 - 6958 Classical survival probability for ozone photodissociation in the Hartley band
Parlant G
6959 - 6962 Probing the electronic structure of redox species and direct determination of intrinsic reorganization energies of electron transfer reactions
Wang XB, Wang LS
6963 - 6965 Nuclear magnetic resonance quantum logic gates using quadrupolar nuclei
Khitrin AK, Fung BM
6966 - 6970 Electron-pair radii and relative sizes of atoms
Koga T
6971 - 6982 Quantum generalized Langevin equation: Explicit inclusion of nonlinear system dynamics
McDowell HK
6983 - 6996 Finding transition structures in extended systems: A strategy based on a combined quantum mechanics-empirical valence bond approach
Sierka M, Sauer J
6997 - 7001 Maximum radius of convergence perturbation theory
Finley JP
7002 - 7007 An exchange functional for accurate virtual orbital energies
Manby FR, Knowles PJ
7008 - 7010 On the triplet-singlet energy gap of acetylene
Le HT, Flock M, Nguyen MT
7011 - 7021 Guided ion beam studies of electron and isotope transfer in N-14(+)+N-15(2) collisions
Glosik J, Luca A, Mark S, Gerlich D
7022 - 7031 Weak bond stretching for three orientations of Ar-HF at v(HF)=3
Chuang CC, Higgins KJ, Fu HC, Klemperer W
7032 - 7041 Theory for the nonadiabatic multichannel fragmentation of the Na-3(+) cluster ion following collision with a He atom
Babikov D, Gislason EA, Sizun M, Aguillon F, Sidis V
7042 - 7056 Theoretical calculation of transition probability for N atom and ions
Zheng NW, Wang T, Yang RY, Wu YG
7057 - 7061 Vibrational excitation of carbon oxysulfide molecules by positron and electron impacts
Kawada MK, Sueoka O, Kimura M
7062 - 7067 Observation of collisional ionization electron spectra of van der Waals clusters with metastable He-*(2 S-3) atoms: An evidence for autoionization from superexcited Ar clusters
Tanaka H, Maruyama R, Yamakita Y, Yamakado H, Misaizu F, Ohno K
7068 - 7074 The KRb ground electronic state potential up to 10 angstrom
Amiot C, Verges J
7075 - 7079 Exponentially correlated Gaussian functions in variational calculations: Quadrupole moment for the ground state of helium dimer
Komasa J
7080 - 7088 Predissociation of the F(4) (1)Sigma(+)(g) state of Li-2
Antonova S, Lazarov G, Urbanski K, Lyyra AM, Li L, Jeung GH, Stwalley WC
7089 - 7094 Infrared spectra and theoretical studies of the C2O3- anion isolated in solid argon
Zhou MF, Zhang LN, Chen MH, Qin QZ
7095 - 7101 Effect of molecular bending on the photodissociation of OCS
Sugita A, Mashino M, Kawasaki M, Matsumi Y, Bersohn R, Trott-Kriegeskorte G, Gericke KH
7102 - 7110 The triplet wave function of C-60 from W-band electron nuclear double resonance spectroscopy
Dauw XLR, van den Berg GJB, van den Heuvel DJ, Poluektov OG, Groenen EJJ
7111 - 7117 Ultrafast charge separation and exciplex formation induced by strong interaction between electron donor and acceptor at short distances
Iwai S, Murata S, Katoh R, Tachiya M, Kikuchi K, Takahashi Y
7118 - 7131 Density fluctuations and shear viscosity of molecular liquids: Carbon dioxide and nitrogen
Rah K, Eu BC
7132 - 7137 On the equivalence of continuum and lattice models for fluids
Panagiotopoulos AZ
7138 - 7146 Local density augmentation in attractive supercritical solutions: Inhomogeneous fluid approach
Egorov SA
7147 - 7151 The structure of saturated lithium- and potassium-ammonia solutions as studied by using neutron diffraction
Wasse JC, Hayama S, Skipper NT, Benmore CJ, Soper AK
7152 - 7157 Reversible fluorescence quenching: Generalized Stern-Volmer equations on the basis of self-consistent quenching constant relations
Naumann W
7158 - 7168 Polarization transfer dynamics in Lee-Goldburg cross polarization nuclear magnetic resonance experiments on rotating solids
Ladizhansky V, Vega S
7169 - 7180 The structure and ordering of ices III and V
Lobban C, Finney JL, Kuhs WF
7181 - 7189 Real-space surface crystallography: Experimental stereographic projections from ion scattering
Bolotin IL, Houssiau L, Rabalais JW
7190 - 7194 Correlation between charge-transfer complex formation and positional disorder in a binary donor-acceptor glass
Schreiber A, Zilker SJ, Haarer D
7195 - 7202 Contact angle hysteresis generated by the residual gravitational field of the Space Shuttle
Ward CA, Rahimi P, Sasges MR, Stanga D
7203 - 7208 Temperature-dependent shear viscosity coefficient of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX): A molecular dynamics simulation study
Bedrov D, Smith GD, Sewell TD
7209 - 7218 Temperature programmed desorption studies of OD coadsorbed with H-2 on Pt(111)
Backstrand KM, Weibel MA, Moision RM, Curtiss TJ
7219 - 7226 Monte Carlo simulation of the motions associated with a single Rouse segment
Lin YH, Luo ZH
7227 - 7237 Thermodynamics of a model for flexible polyelectrolytes in the binding mean spherical approximation
Bernard O, Blum L
7238 - 7246 The rolling transition of a Gaussian chain end-grafted at a penetrable surface
Skvortsov AM, Klushin LI, van Male J, Leermakers FAM
7247 - 7259 Solid-state deuterium nuclear magnetic resonance of the methyl dynamics of poly(alpha-methylstyrene) and polymethylphenylsilane
O'Connor RD, Ginsburg EJ, Blum FD
7260 - 7269 Solute molecular dynamics in a mesoscale solvent
Malevanets A, Kapral R