1 - 7 |
Ab initio study of periodic ice surfaces containing HCl Casassa S |
8 - 12 |
An ENDOR study of H atoms in HD solid at 4.2 K Kumagai J, Noda T, Miyazaki T |
13 - 20 |
Direct observation of semiconduction and photovoltaic behaviour in single molecules of the Photosystem II reaction centre Lukins PB |
21 - 24 |
The KRb (2) (II)-I-1 electronic state Amiot C, Verges J, Effantin C, d'Incan J |
25 - 30 |
Vibronic emission spectrum of the jet cooled m-fluorobenzyl radical in the D-1 -> D-0 transition Lee SK, Ahn BU |
31 - 36 |
Investigation of a van der Waals complex with C-1 symmetry: the free-jet rotational spectrum of 1,2-difluoroethane-Ar Melandri S, Velino B, Favero PG, Dell'Erba A, Caminati W |
37 - 42 |
Picosecond resonance Raman evidence of the structure of a long-lived electronic excited state of low-spin Fe(III) heme o Schelvis JPM, Varotsis CA |
43 - 48 |
Determination of slow motions in extensively isotopically labeled proteins by magic-angle-spinning C-13-detected N-15 exchange NMR deAzevedo ER, Kennedy SB, Hong M |
49 - 56 |
Conformational landscapes in amino acids: infrared and ultraviolet ion-dip spectroscopy of phenylalanine in the gas phase Snoek LC, Robertson EG, Kroemer RT, Simons JP |
57 - 61 |
Product study of the C2H5O2+HO2 reaction in 760 Torr of air at 284-312 K Spittler M, Barnes I, Becker KH, Wallington TJ |
62 - 70 |
Structural differences among methanol clusters (n=1-4) hydrogen-bonded to Coumarin 151 Palmer PM, Chen Y, Topp MR |
71 - 77 |
Diffusion quantum Monte Carlo on multiple-potential surfaces McCoy AB |
78 - 82 |
Seeing molecular orbitals Pascual JI, Gomez-Herrero J, Rogero C, Baro AM, Sanchez-Portal D, Artacho E, Ordejon P, Soler JM |
83 - 88 |
Theoretical studies on the nonlinear optical susceptibilities of 3-methoxy-4-hydroxy-benzaldehyde crystal Lin CS, Wu KC |
89 - 94 |
The asymmetric structure of the n-pentane radical cation: a theoretical study Liu YJ, Huang MB |
95 - 100 |
Theoretical study on the reversible storage of H-2 by BeO Hwang DY, Mebel AM |
101 - 105 |
Ab initio/Rice-Ramsperger-Kassel-Marcus approach to carbon nitride formation: CH3NH2 decomposition Zhang RQ, Han KL, Zhu RS, Lee CS, Lee ST |
106 - 112 |
Ab initio molecular orbital calculations of potential energy surfaces for the N(S-4, D-2, P-2)+H-2 reactions Takayanagi T, Kurosaki Y, Yokoyama K |
113 - 120 |
Frozen orbital QM/MM methods for density functional theory Murphy RB, Philipp DM, Friesner RA |
121 - 125 |
Quantum Monte Carlo study of vibrational states of silanone Acioli PH, Costa LS, Prudente FV |
126 - 128 |
Flip-flops in fluorinated o-cresol Jensen SJK, Vank JC, Tang TH, Csizmadia IG |
129 - 134 |
The ionization energy of the diazomethyl radical (HCNN) Fleming PE |
135 - 141 |
Converging multidimensional rovibrational variational calculations: the dissociation energy of (HF)(2) Mladenovic M, Lewerenz M |
142 - 150 |
Unique magnetic signature of transition metal atoms supported on benzene Pandey R, Rao BK, Jena P, Newsam JM |
151 - 155 |
Density functional studies of molecular polarizabilities. Part 8. Acenaphthene and acenaphthylene Hinchliffe A, Machado HJS |
156 - 162 |
Stable polymers of C-74 and C-78 fullerenes Okada S, Saito S |
163 - 168 |
Effect of size on the Coulomb staircase phenomenon in metal nanocrystals Thomas PJ, Kulkami GU, Rao CNR |
169 - 174 |
Formation mechanism of fullerene peapods and coaxial tubes: a path to large scale synthesis Smith BW, Luzzi DE |
175 - 181 |
A grazing incidence surface X-ray absorption fine structure (GIXAFS) study of alkanethiols adsorbed on Au, Ag, and Cu Floriano PN, Schlieben O, Doomes EE, Klein I, Janssen J, Hormes J, Poliakoff ED, McCarley RL |