1 - 5 |
The morphology of thin water films on Pt(111) probed by chloroform adsorption Zimbitas G, Hodgson A |
6 - 10 |
Adsorption of alkali metals on Ge(001)(2 x 1) surface Xiao HY, Zu XT, Zhang YF, Gao F |
11 - 15 |
A Lu index for QSAR/QSPR studies Lu CH, Guo WM, Hu XF, Wang Y, Yin CS |
16 - 21 |
Revisiting the variational nature of the quantum theory of atoms in molecules Pendas AM, Blanco MA, Francisco E |
22 - 27 |
Layer-selective epitaxial self-assembly of porphyrins on ultrathin insulators Ramoino L, von Arx M, Schintke S, Baratoff A, Guntherodt HJ, Jung TA |
28 - 33 |
A DFT study on the microscopic ionization of cysteine in water Canle LM, Ramos DR, Santaballa JA |
34 - 38 |
TenS4+ (n=1-4) clusters in the gas phase Singh DMDJ, Pradeep T |
39 - 42 |
A novel route to pH oscillators McIlwaine R, Kovacs K, Scott SK, Taylor AF |
43 - 47 |
Identifying spectator bonds in modeling reactions: OH+CO -> H+CO2 Valero R, Kroes GJ |
48 - 52 |
Suppression of undesired peaks due to residual intermolecular dipolar interactions in liquid NMR Chen Z, Zhu XQ, Cai SH, Zhong JH |
53 - 57 |
A modified Ehrenfest method that achieves Boltzmann quantum state populations Bastida A, Cruz C, Zuniga J, Requena A, Miguel B |
58 - 62 |
A new technique for cross polarization in solid-state NMR compatible with high spinning frequencies and high magnetic fields Peng WK, Takeda K, Kitagawa M |
63 - 71 |
Free energy perturbation and dynamical nucleation study of water dimer and trimer through TIP5P water model Liu JZ, Yang L, Doren DJ |
72 - 77 |
Atomic arrangement of Al-induced clusters on Si(001) surface at high temperature Seo JH, Park JY, Jung SK, Yoo KH, Whang CN, Kim SS, Choi DS, Chae KH |
78 - 82 |
Raman and SERS investigation of isolated sp carbon chains Lucotti A, Tommasini M, Del Zoppo M, Castiglioni C, Zerbi G, Cataldo F, Casari CS, Li Bassi A, Russo V, Bogana M, Bottani CE |
83 - 88 |
Photodissociation of 2,2-diphenylhexamethyltrisilane in a supersonic molecular beam Boo BH, Kang DE, Kang HK, Kwon M, Yoo SJ, Lee JK, Lim EC |
89 - 93 |
Vibrationally resolved C and O 1s photoelectron spectra of carbon monoxides Matsumoto M, Ueda K, Kukk E, Yoshida H, Tanaka T, Kitajima M, Tanaka H, Tamenori Y, Kuramoto K, Ehara A, Nakatsuji H |
94 - 99 |
A VB calculation for the excited (1)Sigma(+)(u) bound state of the H-2 molecule Magnasco V, Peverati R |
100 - 104 |
Interaction energy decomposition analysis for formic acid complexes with argon and krypton atoms Panek JJ, Wawrzyniak PK, Latajka Z, Lundell J |
105 - 110 |
Dynamics of a nanowire in twisted nematic liquid crystal You CL, Wu CX |
111 - 115 |
Substituent effect on the nonradiative decay rates from (MLCT)-M-3 excited state of ruthenium(II) complexes: A quantum chemical treatment Shinozaki K, Shinoyama T |
116 - 123 |
Oxidation of methionine methyl ester in aqueous solution: A combined pulse radiolysis and quantum chemical study Shirdhonkar M, Maity DK, Mohan H, Rao BSM |
124 - 127 |
Laser-induced photo-catalytic removal of phenol using n-type WO3 semiconductor catalyst Gondal MA, Seddigi Z |
128 - 131 |
Solid/liquid interfacial tension as a tool to study stability of lysozyme on adsorption to solid surfaces Krishnan CA, Maheshwari R, Dhathathreyan A |
132 - 136 |
Selenium nanotube synthesized via a facile template-free hydrothermal method Chen MH, Gao L |
137 - 142 |
Some aspects of metal-support strong interactions in Rh/Al2O3 catalyst under oxidising and reducing conditions Zimowska M, Wagner JB, Dziedzic J, Camra J, Borzeccka-Prokop B, Najbar M |
143 - 148 |
Reduced-dimensionality and direct trajectory calculations for the C((3) P-J)+NH2 (B-2(1)) reaction Takayanagi T, Taketsugu T |
149 - 153 |
A new nonlinear Raman probe for local structures in liquids and solutions Shigeto S, Hamaguchi H |
154 - 158 |
About the co-product of the OH radical in the reaction of acetyl with O-2 below atmospheric pressure Devolder P, Dusanter S, Lemoine B, Fittschen C |
159 - 163 |
Evidence for a blue-shifting intramolecular hydrogen bond in the vibrational overtone spectrum of 1H-nonafluorobutane Saar BG, O'Donoghue GP, Steeves AH, Thoman JW |
164 - 169 |
Photoionization of NO molecule in two-color ferntosecond pulse laser fields Wang SM, Cong SL, Yuan KJ, Niu YY |
170 - 172 |
Transient absorption in fused silica induced by trains of high-energy electron pulses Janata E |
173 - 178 |
Related matrices of DNA primary sequences based on triplets of nucleic acid bases Liu YZ, Wang TM |
179 - 184 |
An essential role of CO2 and H2O during single-walled CNT synthesis from carbon monoxide Nasibulin AG, Brown DP, Queipo P, Gonzalez D, Jiang H, Kauppinen EI |
185 - 189 |
The effect of stoichiometry on ab initio-based thermochemistry predictions Fishtik F, Urban D, Wilcox J |
190 - 195 |
Is solvated trans-azobenzene twisted or planar? Briquet L, Vercauteren DP, Perpete EA, Jacquemin D |
196 - 199 |
Photo-luminescence studies of strontium barium niobate crystals doped with Cr3+ ions Han TPJ, Jaque F, Jaque D, Ivleva L |
200 - 205 |
Energy dispersive X-ray diffraction and molecular dynamics meet: The structure of liquid pyrrole Gontrani L, Ramondo F, Caminiti R |
206 - 210 |
Hot band spectroscopy of CCO in the C-O stretching region: The (v(1)+2v(3))-2v(3) and (2v(1)+v(3))-(v(1)+v(3)) bands Abusara Z, Dehghani M, Moazzen-Ahmadi N |
211 - 216 |
Time-resolved EPR and laser photolysis investigations of photoinduced omega-bond dissociation in an aromatic carbonyl compound having triplet pi,pi* character Yamaji M, Inomata S, Nakajima S, Akiyama K, Tero-Kubota S, Tobita S, Marciniak B |
217 - 221 |
Growth control of homogeneous pulsed electrodeposited Co thin films on n-doped Si(111) substrates Rastei MV, Colis S, Bucher JP |
222 - 229 |
Electron spin echo envelope modulation spectroscopy with g-value and orientation filters Eichel RA, Schweiger A |
230 - 234 |
Surface-enhanced Raman scattering of 4-mercaptopyridine on thin films of nanoscale Pd cubes, boxes, and cages McLellan JM, Xiong YJ, Hu M, Xia YN |
235 - 240 |
Dipole and quadrupole (hyper)polarizability for the asymmetric stretching of carbon dioxide: Improved agreement between theory and experiment Haskopoulos A, Maroulis G |
241 - 245 |
Adaptive density partitioning technique in the auxiliary plane wave method Kurashige Y, Nakajima T, Hirao K |
246 - 250 |
Ionic fragmentation processes of core-excited alpha-alanine in gas phase Morita M, Mori M, Sunami T, Yoshida H, Hiraya A |
251 - 255 |
Dipole moments of water molecules confined in Na-LSX zeolites -Molecular dynamics simulations including polarization of water Shirono K, Daiguji H |
256 - 260 |
DFT and ab initio calculations on the reaction between fluorine atoms and the fire suppressant, 2-H heptafluoropropane Lee EPF, Dyke JM, Chow WK, Chau FT, Mok DKW |
261 - 265 |
Multi-phonon absorption spectra of dipicolinic acid Kalugin NG, Wang L, Sariyanni ZE, Rostovtsev YV, Scully MO |
266 - 271 |
Ultrafast ring opening reaction of a photochromic indolyl-fulgimide Malkmus S, Koller FO, Heinz B, Schreier WJ, Schrader TE, Zinth W, Schulz C, Dietrich S, Ruck-Braun K, Braun M |
272 - 276 |
Lattice dynamics of single-bonded cubic nitrogen Yu HL, Yang GW, Xiao Y, Yan XH, Mao YL, Yang YR, Zhang Y |
277 - 281 |
Evaluation of nonlinear optical polymers for second-harmonic generation: toward the balance of absorption and nonlinearity against intrinsic trade-off Kim MS, Ju JJ, Park SK, Do JY, Lee MH |
282 - 282 |
Hyper-Rayleigh scattering of neutral and charged helicenes (vol 412, pg 275, 2005) Botek E, Spassova M, Champagne B, Asselberghs I, Persoons A, Clays K |