185 - 190 |
Spin-correlated crystal field analysis of lanthanide elpasolites Thorne JRG, McCaw CS, Denning RG |
191 - 196 |
Ab initio g-tensor calculations of the thioether substituted tyrosyl radical in galactose oxidase Engstrom M, Himo F, Agren H |
197 - 204 |
Incorporation of temporally correlated internal motions into the magnetic resonance relaxation treatment while considering interference of different relaxation mechanisms Ravikumar M |
205 - 212 |
An accurate local model for triple substitutions in fourth order Moller-Plesset theory and in perturbative corrections to singles and doubles coupled cluster methods Maslen PE, Lee MS, Head-Gordon M |
213 - 219 |
Computation of large systems with an economic basis set: a density functional study on proton-bound carboxylic acid clusters Zhang RQ, Wong NB, Lee ST, Zhu RS, Han KL |
220 - 222 |
Strong and symmetric hydrogen bonding in the hydrogen di-superoxide anion Jensen SJK, Csizmadia IG |
223 - 230 |
Ab initio computations of effective exchange integrals for H-H, H-He-H and Mn2O2 complex: comparison of broken-symmetry approaches Soda T, Kitagawa Y, Onishi T, Takano Y, Shigeta Y, Nagao H, Yoshioka Y, Yamaguchi K |
231 - 237 |
An ab initio investigation of the dipole moment of the CO2 ... CO complex Kello V, Lawley KP, Diercksen GHF |
238 - 246 |
Theoretical study of rare earth trihalide dimers Ln(2)X(6) (Ln = La, Dy; X = F, Cl, Br, I) Kovacs A |
247 - 252 |
Mechanism of hydroxide mobility Agmon N |
253 - 260 |
Homonuclear dipolar decoupling in solid-state NMR using continuous phase modulation Sakellariou D, Lesage A, Hodgkinson P, Emsley L |
261 - 264 |
Electronic versus vibrational optical nonlinearities of push-pull polymers Chernyak V, Tretiak S, Mukamel S |
265 - 272 |
The rotational spectrum of NCCCNC in excited vibrational states Huckauf A, Guarnieri A, Bartel C, Lentz D |
273 - 277 |
Data collapse for the Schrodinger equation Serra P, Kais S |
278 - 282 |
Suppression of sidebands in two-dimensional exchange and MQMAS spectroscopies in solids by variable-speed magic-angle sample spinning Mahesh TS, Ajithkumar TG, Nagaraja CS, Bodenhausen G, Kumar A |
283 - 286 |
Compressibility of CO intercalated C-60 crystals van Smaalen S, Dinnebier RE, Milletich R, Kunz M, Holleman I, von Helden G, Meijer G |
287 - 295 |
Basis-set convergence of the two-electron Darwin term Halkier A, Helgaker T, Klopper W, Olsen J |
296 - 302 |
Pressure-induced reversible transformation in single-wall carbon nanotube bundles studied by Raman spectroscopy Teredesai PV, Sood AK, Muthu DVS, Sen R, Govindaraj A, Rao CNR |
303 - 308 |
Formation of molecular hydrogen on a graphite surface via an Eley-Rideal mechanism Farebrother AJ, Meijer AJHM, Clary DC, Fisher AJ |
309 - 317 |
Reactions of photoexcited C-60 with weak organic acids. Novel method for the derivatization of fullerenes Fedurco M, Klostermann K, Kirbach U, Scheller D, Dunsch L |
318 - 326 |
A quantum mechanical study of the ionic interactions in model compounds of polyelectrolite-surfactant complexes derived from polypeptides Aleman C, Zanuy D |
327 - 334 |
Correlated frequency-dependent electronic first hyperpolarizability of small push-pull conjugated chains Jacquemin D, Champagne B, Hattig C |
335 - 340 |
Mass analysis of polyatomic high-Rydberg fragments produced by electron impact on methane Furuya K, Ishikawa K, Ogawa T |
341 - 348 |
Correlated photofragment product distributions in the photodissociation of NO2 at 212.8 nm Richter RC, Khamaganov VI, Hynes AJ |
349 - 354 |
Large magnetic field effect on the radical pair generated from the photo-induced electron transfer from skatole to 2,4,6-triphenyl pyrilium tetrafluoroborate in aqueous SDS micellar medium Haldar M, Chowdhury M |
355 - 362 |
An ab initio estimate of correlation effects on the band gap of covalent semiconductors: diamond and silicon Albrecht M, Fulde P, Stoll H |
363 - 367 |
Transient frequency modulation absorption spectroscopy of molecules produced in a laser ablation supersonic expansion source Steimle TC, Costen ML, Hall GE, Sears TJ |
368 - 374 |
Cooperative magnetic behavior of self-assembled iron(II) chelate chain compounds Muller BR, Leibeling G, Jager EG |
375 - 384 |
Ionization-induced conformational changes: REMPI and ZEKE spectroscopy of salicyl and benzyl alcohol Dessent CEH, Geppert WD, Ullrich S, Muller-Dethlefs K |
385 - 390 |
Preparation of isolable ion-radical salt derived from TTF-based spin-polarized donor Nakazaki J, Ishikawa Y, Izuoka A, Sugawara T, Kawada Y |
391 - 395 |
Intra ion-ion interactions in aqueous solution: beta-alanine zwitterion and 1,2-ethenediammonium Nam KY, Yoon JH, No KT |
396 - 402 |
Hypericin, an intriguing internally heterogenous molecule, forms a covalent intramolecular hydrogen bond Ulicny J, Laaksonen A |
403 - 410 |
Reversed triplet mechanism CIDEP in triplet azoalkanes Savitsky AN, Paul H |
411 - 417 |
Millimeter-wave spectroscopy of HC3P isotopomers and coupled-cluster calculations: the molecular structure of phosphabutadiyne Bizzocchi L, Degli Esposti C, Botschwina P |
418 - 422 |
Effect of deposition rate on the morphology, chemistry and electroluminescence of tris-(8-hydroxyqiunoline) aluminum films Cheng LF, Liao LS, Lai WY, Sun XH, Wong NB, Lee CS, Lee ST |
423 - 426 |
Variable-temperature diffraction study of the barrier to rotation and zero-point motion in bis(eta(6)-benzene) chromium Jones RH, Doerrer LH, Teat SJ, Wilson CC |
427 - 433 |
Radical diffusion measured by the transient grating in a short timescale Ukai A, Hirota N, Terazima M |