321 - 329 |
Second-order non-linear optical response of metallo-organic compounds: towards switchable materials Gaudry JB, Capes L, Langot P, Marcen S, Kollmannsberger M, Lavastre O, Freysz E, Letard JF, Kahn O |
330 - 336 |
Orienting effect of magnetic field on some copper metallomesogen powders: single crystal-like alignment Bose M, Ohta K, Babu Y, Sastry MD |
337 - 343 |
State-resolved differential cross-section measurement of Cl+C2H6 -> HCl+C2H5 reaction using single-beam velocity mapping Samartzis PC, Smith DJ, Rakitzis TP, Kitsopoulos TN |
344 - 348 |
Role of hydrophobic interactions on the stabilisation of native state of globular proteins Calandrini V, Fioretto D, Onori G, Santucci A |
349 - 353 |
Spectral properties and effective upconverted lasing of new organic molecules Wang HZ, Lei H, Wei ZC, Zhao FL, Zheng XG, Xu NS, Wang XM, Ren Y, Tian YP, Fang Q, Jiang MH |
354 - 358 |
Ultrafast third-order non-linear optical response of Diels-Alder adduct of fullerene C-60 with a metallophthalocyanine Huang WT, Wang SF, Liang RS, Gong QH, Qiu WF, Liu YQ, Zhu DB |
359 - 364 |
Production of zigzag-type BN nanotubes and BN cones by thermal annealing Terauchi M, Tanaka M, Suzuki K, Ogino A, Kimura K |
365 - 372 |
Binding energies of neutral silicon clusters Bachels T, Schafer R |
373 - 380 |
Spontaneous proton transfer between O-sites in zeolites Benco L, Demuth T, Hafner J, Hutschka F |
381 - 388 |
A possible nonpolar solvation mechanism at an intermediate time scale: the solvent-cage expansion Chang SL, Wu TM |
389 - 402 |
The expectation value of the spin operator S-2 as a diagnostic tool in coupled cluster theory - The advantages of using UHF-CCSD theory for the description of homolytic dissociation Yuan H, Cremer D |
403 - 410 |
Ground state potentials for alkaline-earth-helium diatoms calculated by the surface integral method Kleinekathofer U |
411 - 415 |
Numeric modeling of the photogeneration of free charge carriers Pan JY, Haarer D |
416 - 422 |
Inner-valence ionization of molecular anions and ultrafast relaxation by electron emission Santra R, Zobeley J, Cederbaum LS |
423 - 429 |
Theoretical investigation of the potential energy surfaces for the O(D-1)+N2O reaction Akagi H, Yokoyama A, Fujimura Y, Takayanagi T |
430 - 434 |
Energetics of hole transfer in DNA Voityuk AA, Jortner J, Bixon M, Rosch N |
435 - 439 |
The amide proton NMR chemical shift and hydrogen-bonded structure of peptides and polypeptides in the solid state as studied by high-frequency solid-state H-1 NMR Yamauchi K, Kuroki S, Fujii K, Ando I |
440 - 446 |
Investigation of exchange potentials for excited states by parameter fitting Paragi G, Gyemant IK, Van Doren VE |
447 - 452 |
Density-functional derivatives from exact orbital functionals Miao MS |
453 - 458 |
On the transferability of relativistic pseudopotentials in density-functional calculations: AuH, AuCl, and Au-2 Han YK, Hirao K |
459 - 465 |
Symplectic integrators for the multilevel Redfield equation Kalyanaraman C, Evans DG |
466 - 474 |
On the effect of increasing the total angular momentum on Li+HF reactivity Lagana A, Bolloni A, Crocchianti S, Parker GA |
475 - 481 |
The correlation energy in terms of density moments along the adiabatic connection in the density functional theory Bene E, Nagy A |