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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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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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An Attempt To Bridge the Gap between Computation and Experiment for Nonlinear Optical Properties: Macroscopic Susceptibilities in Solution

Cammi, R.; Mennucci, B.; Tomasi, J.

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, 4690-4698 -- American Chemical Society; 2000 (pages 4690-4698) -- 2000

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Computational Aspects of Interaction Hyperpolarizability Calculations. A Study on H~2...H~2, Ne...HF, Ne...FH, He...He, Ne...Ne, Ar...Ar, and Kr...Kr

Maroulis, G.

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, 4772-4779 -- American Chemical Society; 2000 (pages 4772-4779) -- 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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Effect of Hole Trapping on the Microscopic Structure of Oxygen Vacancy Sites in a-SiO~2

Pineda, A. C.; 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, 4699-4703 -- American Chemical Society; 2000 (pages 4699-4703) -- 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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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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Exciton Migration and Cathode Quenching in Organic Light Emitting Diodes

Burin, A. L.; Ratner, M. A.

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, 4704-4710 -- American Chemical Society; 2000 (pages 4704-4710) -- 2000

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H~2 Cracking at SiO~2 Defect Centers

Vitiello, M. 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, 4674-4684 -- American Chemical Society; 2000 (pages 4674-4684) -- 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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