| 4671 - 4673 |
Electronic and nonlinear optical materials: The role of theory and modeling
Karna SP |
| 4674 - 4684 |
H-2 cracking at SiO2 defect centers
Vitiello M, Lopez N, Illas F, Pacchioni G |
| 4685 - 4689 |
An efficient implementation of the direct random-phase approximation using the quasi-particle formalism
Sekino H |
| 4690 - 4698 |
An attempt to bridge the gap between computation and experiment for nonlinear optical properties: Macroscopic susceptibilities in solution?
Cammi R, Mennucci B, Tomasi J |
| 4699 - 4703 |
Effect of hole trapping on the microscopic structure of oxygen vacancy sites in a-SiO2
Pineda AC, Karna SP |
| 4704 - 4710 |
Exciton migration and cathode quenching in organic light emitting diodes
Burin AL, Ratner MA |
| 4711 - 4717 |
Computational study of polarizabilities and second hyperpolarizabilities of inorganic transition metal thiometalates and metalates in solution
Cundari TR, Kurtz HA, Zhou T |
| 4718 - 4722 |
Solvent-induced two-photon absorption of a push-pull molecule
Luo Y, Norman P, Macak P, Agren H |
| 4723 - 4734 |
Molecular design for organic nonlinear optics: Polarizability and hyperpolarizabilities of furan homologues investigated by ab initio molecular orbital method
Kamada K, Ueda M, Nagao H, Tawa K, Sugino T, Shmizu Y, Ohta K |
| 4735 - 4738 |
Nonlinear optical properties of threefold coordinated paramagnetic Si centers: An ab initio time-dependent Hartree-Fock study on SiH3 radical
Karna SP |
| 4739 - 4747 |
On electronic properties of assemblies of quantum nanodots
Remacle F |
| 4748 - 4754 |
Triplet excited states of free-base porphin and its ss-octahalogenated derivatives
Nguyen KA, Day PN, Pachter R |
| 4755 - 4763 |
Assessment of conventional density functional schemes for computing the dipole moment and (hyper)polarizabilities of push-pull pi-conjugated systems
Champagne B, Perpete EA, Jacquemin D, van Gisbergen SJA, Baerends EJ, Soubra-Ghaoui C, Robins KA, Kirtman B |
| 4764 - 4766 |
Intermolecular effects on the two-photon absorption spectrum of DEANST crystal
Feneyrou P, Baldeck PL |
| 4767 - 4771 |
An ab initio model for solvent effects in organic molecules
Das GP, Dudis DS |
| 4772 - 4779 |
Computational aspects of interaction hyperpolarizability calculations. A study on H-2 center dot center dot center dot H-2, Ne center dot center dot center dot HF, Ne center dot center dot center dot FH, He center dot center dot center dot He, Ne center dot center dot center dot Ne, Ar center dot center dot center dot Ar, and Kr center dot center dot center dot Kr
Maroulis G |
| 4780 - 4784 |
Hydrogen cracking in SiO2: Kinetics for ha dissociation at silicon dangling bonds
Kurtz HA, Karna SP |
| 4785 - 4795 |
Monte Carlo statistical mechanical simulations of the competition of intermolecular electrostatic and poling-field interactions in defining macroscopic electro-optic activity for organic chromophore/polymer materials
Robinson BH, Dalton LR |
| 4796 - 4800 |
Structure and nonlinear optical properties of cationic defects in amorphous silicon dioxide. 1. Cluster studies
Ferreira AM, Kurtz HA, Karna SP |
| 4801 - 4804 |
(Hyper)polarizabilities of GaN, GaP, and GaAs clusters: An ab initio time-dependent Hartree-Fock study
Korambath PP, Karna SP |
| 4805 - 4810 |
Two-photon excitation and optical spatial-profile reshaping via a nonlinear absorbing medium
He GS, Swiatkiewicz J, Jiang Y, Prasad PN, Reinhardt BA, Tan LS, Kannan R |
