359 - 365 |
Temperature dependence of vibrational energy transfer between vibrationally excited polyatomic molecules and bath gases Zalesskaya GA, Yakovlev DL, Sambor EG |
366 - 374 |
Formation of molecular iodine by photodissociation of CF2I2 at 193 nm Scheld HA, Furlan A, Huber JR |
375 - 382 |
Femtosecond laser-controlled selective excitation of vibrational modes on a multidimensional ground state potential energy surface Chen T, Vierheilig A, Waltner P, Heid M, Kiefer W, Materny A |
383 - 388 |
Magnetic field effect on the photoinduced electron transfer reaction between benzophenone and starburst dendrimers in water Akimoto Y, Fujiwara Y, Tanimoto Y |
389 - 394 |
A REMPI study of styrene(Ar)(n), n=4-12 clusters Zensen TA, Jarski P, Eaton JG |
395 - 399 |
Structural phase transition of merocyanine J-aggregate induced by ion-recombination in the aqueous sub-phase Kato N, Saito K, Uesu Y |
400 - 406 |
Cavity ring down detection of SiH3 on the broadband (A)over-tilde (2)A'(1) <- (X)over-tilde (2)A(1) transition in a remote Ar-H-2-SiH4 plasma Boogaarts MGH, Bocker PJ, Kessels WMM, Schram DC, van de Sanden MCM |
407 - 412 |
Hole transport through chromophores in a photorefractive polymer composite based on poly(N-vinylcarbazole) West DP, Rahn MD, Im C, Bassler H |
413 - 420 |
Effect of charging on electronic structure of the Alq(3) molecule: the identification of carrier transport properties Zhang RQ, Lee CS, Lee ST |
421 - 429 |
beta-hairpin folds by molecular dynamics simulations Galzitskaya OV, Higo J, Kuroda M, Nakamura H |
430 - 438 |
Vibrational coherence of S-1 trans-stilbene in solution observed by 40-fs-resolved absorption spectroscopy: comparison of the low-frequency vibration appearing in the frequency-domain and time-domain spectroscopies Takeuchi S, Tahara T |
439 - 444 |
Vibrational spectroscopy of anions by stimulated Raman pumping-photoelectron spectroscopy Furlanetto MR, Pivonka NL, Lenzer T, Neumark DM |
445 - 453 |
Optimal control of molecular states in a learning loop with a parameterization in frequency and time domain Hornung T, Meier R, Motzkus M |
454 - 460 |
Sensitivity enhancements in MQ-MAS NMR of spin-5/2 nuclei using modulated rf mixing pulses Vosegaard T, Massiot D, Grandinetti PJ |
461 - 467 |
Pseudorotating Na-4 at finite temperatures: tight-binding molecular dynamics studies Wang F, Zhang FS, Abe Y |
468 - 476 |
Heats of formation of small bicyclic hydrocarbons, spiropentadiene (C5H4), spiropentane (C5H8) and bicyclo[1.1.0]but-1(3)-ene (C4H4): a theoretical study by the G2M(RCC,MP2) method Nguyen TL, Le TN, Mebel AM, Lin SH |
477 - 484 |
Diffusion of binary mixtures in zeolites: molecular dynamics simulations versus Maxwell-Stefan theory Krishna R |
485 - 493 |
Theoretical study of low-lying electronic states of CuO and CuO- Xian H, Cao ZX, Xu X, Lu X, Zhang QE |
494 - 500 |
A theoretical study on the novel molecule OSiCO and its isomers Zhang LN, Qin QZ |
501 - 508 |
Highly accurate relativistic gaussian basis sets for closed-shell atoms from He through to No Neto AC, Librelon PR, Jorge FE |
509 - 514 |
Computer simulation study of HNO3 dissociation in aqueous clusters Elola MD, Marceca EJ, Laria D, Estrin DA |
515 - 522 |
Simulation of extended periodic systems of nuclear spins Hodgkinson P, Sakellariou D, Emsley L |
523 - 529 |
Ab initio calculations of Si-29 solid state NMR chemical shifts of silane and silanol groups in silica Casanovas J, Illas F, Pacchioni G |
530 - 536 |
Computational study of medium-sized cumulenethiones H2CnS (n=3-9) Park SW, Park K, Lee S, Kim B |
537 - 543 |
Evaluation and comparison of transition states with the HCTH98 and FT97 functionals Preston DA, Gilbert BA |
544 - 550 |
Real-time semiclassical initial value method and threshold tunneling probabilities Das R, Keshavamurthy S |
551 - 557 |
Effects of a trace amount of hydrophobic molecules on phase transition for water confined between hydrophobic surfaces: theoretical results for simple models Kinoshita M |
558 - 566 |
Transient spectroscopy of Frenkel excitons in alpha-hexathiophene single crystals Frolov SV, Kloc C, Berg S, Thomas GA, Batlogg B |
567 - 572 |
The atomic nature of endohedrally encapsulated nitrogen N@C-60 studied by density functional and Hartree-Fock methods Greer JC |
573 - 579 |
An ESR study on Jahn-Teller effect in corannulene monoanion Sato T, Yamamoto A, Tanaka H |
580 - 584 |
Surface charge-transfer states in C-60 fullerene - microelectrostatic calculations Eilmes A |