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Triplet Excited States of Free-Base Porphin and Its beta-Octahalogenated Derivatives

Nguyen, K. A.; Day, P. N.; Pachter, R.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory.; Electronic and nonlinear optical materials; the role of theory and modeling; New Orleans, LA, 1999, 2000, 4748-4754 -- American Chemical Society; 2000 (pages 4748-4754) -- 2000

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An Efficient Implementation of the Direct Random-Phase Approximation Using the Quasi-Particle Formalism

Sekino, H.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory.; Electronic and nonlinear optical materials; the role of theory and modeling; New Orleans, LA, 1999, 2000, 4685-4689 -- American Chemical Society; 2000 (pages 4685-4689) -- 2000

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Structure and Nonlinear Optical Properties of Cationic Defects in Amorphous Silicon Dioxide. I. Cluster Studies

Ferreira, A. M.; Kurtz, H. A.; Karna, S. P.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory.; Electronic and nonlinear optical materials; the role of theory and modeling; New Orleans, LA, 1999, 2000, 4796-4800 -- American Chemical Society; 2000 (pages 4796-4800) -- 2000

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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, B. H.; Dalton, L. R.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory.; Electronic and nonlinear optical materials; the role of theory and modeling; New Orleans, LA, 1999, 2000, 4785-4795 -- American Chemical Society; 2000 (pages 4785-4795) -- 2000

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Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper)polarizabilities of Push-Pull pi-Conjugated Systems

Champagne, B. et al.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory.; Electronic and nonlinear optical materials; the role of theory and modeling; New Orleans, LA, 1999, 2000, 4755-4763 -- American Chemical Society; 2000 (pages 4755-4763) -- 2000

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Computational Study of Polarizabilities and Second Hyperpolarizabilities of Inorganic Transition Metal Thiometalates and Metalates in Solution

Cundari, T. R.; Kurtz, H. A.; Zhou, T.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory.; Electronic and nonlinear optical materials; the role of theory and modeling; New Orleans, LA, 1999, 2000, 4711-4717 -- American Chemical Society; 2000 (pages 4711-4717) -- 2000

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Electronic and Nonlinear Optical Materials: The Role of Theory and Modeling

Karna, S. P.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory.; Electronic and nonlinear optical materials; the role of theory and modeling; New Orleans, LA, 1999, 2000, 4671-4673 -- American Chemical Society; 2000 (pages 4671-4673) -- 2000

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Molecular Design for Organic Nonlinear Optics: Polarizability and Hyperpolarizabilities of Furan Homologues Investigated by Ab Initio Molecular Orbital Method

Kamada, K. et al.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory.; Electronic and nonlinear optical materials; the role of theory and modeling; New Orleans, LA, 1999, 2000, 4723-4734 -- American Chemical Society; 2000 (pages 4723-4734) -- 2000

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Intermolecular Effects on the Two-Photon Absorption Spectrum of DEANST Crystal

Feneyrou, P.; Baldeck, P. L.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory.; Electronic and nonlinear optical materials; the role of theory and modeling; New Orleans, LA, 1999, 2000, 4764-4766 -- American Chemical Society; 2000 (pages 4764-4766) -- 2000

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An Ab Initio Model for Solvent Effects in Organic Molecules

Das, G. P.; Dudis, D. S.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory.; Electronic and nonlinear optical materials; the role of theory and modeling; New Orleans, LA, 1999, 2000, 4767-4771 -- American Chemical Society; 2000 (pages 4767-4771) -- 2000

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Results 1 - 10 of 21  for Everything in this catalogue

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  1. Karna, S. P.
  2. Kurtz, H. A.
  3. Kamada, K.
  4. Baerends, E. J.
  5. Reinhardt, B. A.

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