1 - 6 |
CN(A(2)Pi(i) -> X-2 Sigma(+)) chemiluminescence from the N+C2N, N+CCl, and N+C-2 reactions under low-pressure fast-flow conditions Daugey N, Bergeat A, Loison JC, Schuck A, Caubet P, Dorthe G |
7 - 14 |
Dielectric behavior and percolation phenomena in porous silica gels Saraidarov T, Axelrod E, Feldman Y, Reisfeld R |
15 - 19 |
Single-molecule spectroscopy in oxygen-depleted polymer films English DS, Furube A, Barbara PF |
20 - 24 |
One-dimensional dipolar-shift spectroscopy under magic angle spinning to determine the chemical-shift anisotropy tensors Wei YF, Lee DK, Ramamoorthy A |
25 - 30 |
Cain studies of Coumarin 490 dye-doped polymer laser Somasundaram G, Ramalingam A |
31 - 36 |
Third-body dependence of rate coefficients for ozone formation in O-16-O-18 mixtures Guenther J, Krankowsky D, Mauersberger K |
37 - 42 |
Jahn-Teller distortion and merohedral disorder of C-60(-) as observed by ESR Bietsch W, Bao J, Ludecke J, van Smaalen S |
43 - 47 |
Langmuir-Blodgett film properties of a donor-acceptor Schiff base Kanthimathi M, Dhathathreyan A, Nair BU |
48 - 56 |
Symmetry-breaking collisional energy transfer in the 4 nu(CH) rovibrational manifold of acetylene: spectroscopic evidence of a quasi-continuum of background states Payne MA, Milce AP, Frost MJ, Orr BJ |
57 - 63 |
Electronic relaxations in donor-acceptor biphenyls Maus M, Rettig W |
64 - 68 |
Thermal conductivity of liquid octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) from molecular dynamics simulations Bedrov D, Smith GD, Sewell TD |
69 - 74 |
Steady-state free-precession in nitrogen-14 quadrupolar spin-system with axially symmetric electric field gradient tensor Rudakov TN, Mikhaltsevich VT |
75 - 80 |
On the theoretical reports on 7-azaindole base-pair phototautomerization Douhal A, Moreno M, Lluch JM |
81 - 87 |
On the experimental evidences for 7-azaindole base-pair model ultrafast phototautomerization Douhal A, Moreno M, Lluch JM |
88 - 94 |
Direct dynamics simulation of the methanethiol cation decomposition Martinez-Nunez E, Pena-Gallego A, Rodriguez-Fernandez R, Vazquez SA |
95 - 100 |
A method of determining donor-acceptor distribution functions in Forster resonance energy transfer Rolinski OJ, Birch DJS, McCartney LJ, Pickup JC |
101 - 107 |
Ab-initio molecular deformation barriers using auxiliary-field quantum Monte Carlo with application to the inversion barrier of water Baer R |
108 - 114 |
Electronic structure investigation of the Al4O4 molecule Chang C, Patzer ABC, Sedlmayr E, Steinke T, Sulzle D |
115 - 121 |
Molecular dynamics study of biphenyl and 3,5,3',5'-tetrafluorobiphenyl in CCl4 solution Szymoszek A, Koll A |
122 - 126 |
Accurate quantum-mechanical calculation for O(D-1)+DCl reaction Lin SY, Han KL, Zhang JZH |
127 - 136 |
Hybrid density functionals and ab initio studies of 2-pyridone-H2O and 2-pyridone-(H2O)(2) Dkhissi A, Adamowicz L, Maes G |
137 - 142 |
Reactivity of AlnC clusters with oxygen: search for new magic clusters Ashman C, Khanna SN, Pederson MR |
143 - 148 |
A computational study on electronic structures of GenF- and GenF (n=3-6) clusters by density functional theory Han JG |
149 - 155 |
Potential energy landscape for proton transfer in (H2O)(3)H+: comparison of density functional theory and wavefunction-based methods Geissler PL, Van Voorhis T, Dellago C |
156 - 160 |
G2(MP2) molecular orbital study of the substituent effect in the H3BPH3-nFn (n=0-3) donor-acceptor complexes Anane H, Jarid A, Boutalib A, Nebot-Gil I, Tomas F |
161 - 165 |
Charge transfer excitons in perylenetetracarboxylic dianhydride -microelectrostatic calculations Mazur G, Petelenz P |
166 - 174 |
Explicitly correlated R12 coupled cluster calculations for open shell systems Noga J, Valiron P |
175 - 182 |
Solvation effects on the iodoform ultraviolet direct photodissociation reaction. opening the photoisomerization channel Zheng XM, Phillips DL |
183 - 188 |
The molecular structure and conformation of tetrabromoformaldazine: ab initio and DFT calculations Jeong M, Kwon Y |
189 - 194 |
Systematic study of the parameters determining stockholder charges Rousseau B, Peeters A, Van Alsenoy C |
195 - 200 |
The electronic spectrum of linear and rhombic C-4 Muhlhauser M, Froudakis GE, Hanrath M, Peyerimhoff SD |
201 - 205 |
The equilibrium structure and relative energy of cis- and trans-hydroxysilylene, HSiOH Koput J |
206 - 212 |
Direct calculation of anharmonic vibrational states of polyatomic molecules using density functional theory: spectroscopic tests of recently developed functionals Wright NJ, Gerber RB, Tozer DJ |
213 - 216 |
Surface defect site density on single walled carbon nanotubes by titration Mawhinney DB, Naumenko V, Kuznetsova A, Yates JT, Liu J, Smalley RE |
217 - 223 |
Flame synthesis of substrate-supported metal-catalyzed carbon nanotubes Vander Wal RL |
224 - 230 |
Boron-catalyzed multi-walled carbon nanotube growth with the reduced number of layers by laser ablation Hirahara K, Suenaga K, Bandow S, Iijima S |