7827 - 7835 |
The Fourier transform Coulomb method: Efficient and accurate calculation of the Coulomb operator in a Gaussian basis Fusti-Molnar L, Pulay P |
7836 - 7844 |
Calculation of nuclear magnetic shieldings. XV. Ab initio zeroth-order regular approximation method Fukui H, Baba T |
7845 - 7851 |
Calculation of van der Waals coefficients in hydrodynamic approach to time-dependent density functional theory Banerjee A, Harbola MK |
7852 - 7863 |
Emergence of quantum-classical dynamics in an open quantum environment Shiokawa K, Kapral R |
7864 - 7871 |
Diffusion-limited reaction in the presence of random fields and transition rates Lee JW |
7872 - 7881 |
Spin-restricted coupled-cluster theory with triple excitations Berente I, Szalay PG, Gauss J |
7882 - 7888 |
Electronic structure and chemical bonding of divanadium-oxide clusters (V2Ox, x=3-7) from anion photoelectron spectroscopy Zhai HJ, Wang LS |
7889 - 7895 |
H-atom high-n Rydberg time-of-flight spectroscopy of C-H bond fission in acrolein dissociated at 193 nm Parsons BF, Szpunar DE, Butler LJ |
7896 - 7905 |
Orbitally dependent kinetic exchange in a heterobimetallic pair: Ferromagnetic spin alignment and magnetic anisotropy in the cyano-bridged Cr(III)Fe(II) dimer Palii AV, Tsukerblat BS, Verdaguer M |
7906 - 7913 |
Rotationally resolved structures in the fifth and sixth torsional states of (A)over-tilde(1)A'' acetaldehyde: Internal rotation above the torsional barrier Chou YC, Huang CL, Chen IC, Ni CK, Kung AH |
7914 - 7916 |
The nu(5) vibrational frequency of the vinyl radical: Conflict between theory and experiment Sattelmeyer KW, Schaefer HF |
7917 - 7924 |
Electronic structure and chemical bonding of B-5(-) and B-5 by photoelectron spectroscopy and ab initio calculations Zhai HJ, Wang LS, Alexandrova AN, Boldyrev AI |
7925 - 7930 |
Nuclear-excited Feshbach resonance in the Ar(P-3)+CH3Br Penning ionization reaction under orientation and velocity specified collisions Okada S, Ohoyama H, Kasai T |
7931 - 7941 |
Time-resolved resonance Raman spectroscopy and density functional theory investigation of the CH2I-I isomer and CH2I2 center dot center dot center dot I molecular complex products produced from ultraviolet photolysis of CH2I2 in the solution phase: Comparison of the structure and chemical reactivity of polyhalomethane isomers and polyhalomethane-halogen atom molecular complexes Li YL, Wang D, Phillips DL |
7942 - 7946 |
Fully relativistic calculation of nuclear magnetic shieldings and indirect nuclear spin-spin couplings in group-15 and-16 hydrides Gomez SS, Romero RH, Aucar GA |
7947 - 7959 |
Imaging O(P-3) plus alkane reactions in crossed molecular beams: Vertical versus adiabatic H abstraction dynamics Liu XH, Gross RL, Hall GE, Muckerman JT, Suits AG |
7960 - 7967 |
A theoretical study of the low-lying states of the AuSi molecule: An assignment of the excited A and D states Abe M, Nakajima T, Hirao K |
7968 - 7979 |
Resonance-leaking to specific background states: A loss mechanism in molecular multiphoton transitions Jakubetz W, Lan BL |
7980 - 7988 |
High resolution spectroscopy and channel-coupling treatment of the A(1)Sigma(+)-b(3)Pi complex of NaRb Tamanis M, Ferber R, Zaitsevskii A, Pazyuk EA, Stolyarov AV, Chen HM, Qi JB, Wang H, Stwalley WC |
7989 - 7994 |
Dissociative electron attachment study to nitromethane Sailer W, Pelc A, Matejcik S, Illenberger E, Scheier P, Mark TD |
7995 - 8003 |
Application of the integral encounter theory to the description of degenerate electron exchange reactions Doktorov AB, Ivanov KL, Lukzen NN, Morozov VA |
8004 - 8007 |
Critical chain dynamics near the interdigitated-noninterdigitated chain configurational phase transition in decylammonium chloride Lee KW, Oh DK, Lee CE, Kang JK, Lee CH, Kim J |
8008 - 8020 |
Covalency in the uranyl ion: A polarized x-ray spectroscopic study Denning RG, Green JC, Hutchings TE, Dallera C, Tagliaferri A, Giarda K, Brookes NB, Braicovich L |
8021 - 8029 |
Dynamics of water molecules in an alkaline environment Nienhuys HK, Lock AJ, van Santen RA, Bakker HJ |
8030 - 8035 |
On the existence of non-nuclear maxima in simple metals Madsen GKH, Blaha P, Schwarz K |
8036 - 8041 |
Capillary condensation of nitrogen in MCM-41 and SBA-15 Morishige K, Ito M |
8042 - 8049 |
Ostwald ripening with size-dependent rates: Similarity and power-law solutions Madras G, McCoy BJ |
8050 - 8062 |
Spontaneous orientational order in confined dipolar fluid films Klapp SHL, Schoen M |
8063 - 8073 |
The competition between hydrogen bonding and chemical change in carbohydrate nanoparticles Jetzki M, Signorell R |
8074 - 8079 |
On the electrical double layer contribution to the interfacial tension of protein crystals Sear RP, Warren PB |
8080 - 8088 |
Effect of surface phosphorus on the oxidative dehydrogenation of ethane: A first-principles investigation Maiti A, Govind N, Kung P, King-Smith D, Miller JE, Zhang C, Whitwell G |
8089 - 8094 |
Interactions of functionalized carbon nanotubes with tethered pyrenes in solution Qu LW, Martin RB, Huang WJ, Fu KF, Zweifel D, Lin Y, Sun YP, Bunker CE, Harruff BA, Gord JR, Allard LF |
8095 - 8103 |
Effective medium theories in surface enhanced infrared spectroscopy: The pentacene example Ross D, Aroca R |
8104 - 8109 |
Spectral and spatial anisotropy of the oxide growth on Ru(0001) Bottcher A, Starke U, Conrad H, Blume R, Niehus H, Gregoratti L, Kaulich B, Barinov A, Kiskinova M |
8110 - 8123 |
Surface phase transformation kinetics: A geometrical model for thin films of nonvolatile and volatile solids Safarik DJ, Mullins CB |
8124 - 8129 |
A small-angle neutron scattering investigation of the structure of highly swollen block copolymer micelles Castelletto V, Hamley IW, Pedersen JS |
8130 - 8137 |
Fusion and toroidal formation of vesicles by mechanical forces: A Brownian dynamics simulation Noguchi H |
8138 - 8152 |
Effective charge saturation in colloidal suspensions Bocquet L, Trizac E, Aubouy M |
8153 - 8161 |
Microstructural study of mechanical properties of the ABA triblock copolymer using self-consistent field and molecular dynamics Aoyagi T, Honda T, Doi M |
8162 - 8163 |
Comment on "Observations on an equation of state for water confined in narrow slit-pores" [J. Chem. Phys. 116, 2565 (2002)] Truskett TM, Debenedetti PG, Torquato S |
8164 - 8165 |
Response to "Comment on'Observations on an equation of state for water confined in narrow slit-pores' " [J. Chem. Phys. 117, 8162 (2002)] Giaya A, Thompson RW |
8166 - 8166 |
A hydrodynamic theory for solutions of nonhomogeneous nematic liquid crystalline polymers of different configurations (vol 116, pg 9120, 2002) Wang Q |