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1984Bending Potentials for H2o in the Ground and the 1st 6 Singlet Excited-StatesTheodorakopoulos, Giannoula; Petsalakis, Ioannis D.; Buenker, R. J.; Peyerimhoff, S. D.
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1984Nonorthonormal Cl for Molecular Excited-States .1. The Sudden Polarization Effect in 90-Degrees Twisted EthylenePetsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Nicolaides, Cleanthes A.; Buenker, R. J.; Peyerimhoff, S. D.
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1984Theory of Chemical-Reactions of Vibronically Excited H-2(B1-Sigma-Ut) .1. Prediction of a Strongly Bound Excited-State of H-4Nicolaides, Cleanthes A.; Theodorakopoulos, Giannoula; Petsalakis, Ioannis D.
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1984Non-Orthonormal Cl for Molecular Excited-States .2. The Zwitterionic States of Terminally Twisted ButadienePetsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Nicolaides, Cleanthes A.; Buenker, R. J.
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1984Theoretical and Experimental Ionization-Potentials of (Ch3)2s and (Ch3)2so - the Effect of Substituents R on the Sulfur Esca Shifts in the Series R2s, R2so, R2so2Theodorakopoulos, Giannoula; Petsalakis, Ioannis D.; Csizmadia, I. G.; Robb, M. A.
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1984Theory of Chemical-Reactions of Vibronically Excited H-2 (B-1sigma-U+) .3. Formation of Bound Excited-States of the (H-2)2, (H-2)3, and (H-2)5 ClustersNicolaides, Cleanthes A.; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula
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1985The X1a1-]A1b1 Transition-Moment of H2o Using State-Specific Configuration-Interaction Wave-FunctionsTheodorakopoulos, Giannoula; Petsalakis, Ioannis D.; Nicolaides, Cleanthes A.; Buenker, R. J.
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1985Mrd Ci Calculations on the Asymmetric Stretch Potentials of H2o in the Ground and the 1st 7 Singlet Excited-StatesTheodorakopoulos, Giannoula; Petsalakis, Ioannis D.; Buenker, R. J.
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1985Configuration-Interaction Study of the Oscillator-Strengths for the B1a1-X1a1 and D1a1-X1a1 Transitions of the Water MoleculeTheodorakopoulos, Giannoula; Petsalakis, Ioannis D.; Nicolaides, Cleanthes A.
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1986A Method for the Calculation of Transition Moments between Electronic States of Molecules Using a Different One-Electron Basis Set for Each StateTheodorakopoulos, Giannoula; Petsalakis, Ioannis D.; Nicolaides, Cleanthes A.
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1987Theoretical Dipole Transition Moments for Transitions between Bound Electronic States and Nonadiabatic Coupling Matrix-Elements between 2-Sigma+ of HehPetsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Nicolaides, Cleanthes A.; Buenker, R. J.
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1987Theoretical Investigation of the Character of the Electronic States of H2o Along a Linear Dissociation Path Leading to Oh+HTheodorakopoulos, Giannoula; Petsalakis, Ioannis D.; Buenker, R. J.
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1987Theoretical Investigation of the Excited-States of Neh - Calculations of Dipole Transition Moments and Radial Coupling Matrix-ElementsTheodorakopoulos, Giannoula; Petsalakis, Ioannis D.; Buenker, R. J.
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1987Non-Orthonormal Basis Calculations of the Dipole Transition-Moment for the Phillips System (A1-Pi-U-]X1-Sigma-G+) in C-2. Theoretical Lifetime of the A1-Pi-U StateTheodorakopoulos, Giannoula; Petsalakis, Ioannis D.; Nicolaides, Cleanthes A.; Buenker, R. J.
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1987Theoretical Dipole Transition Moments for the Transitions to the Ground-State X2-Sigma+ from the A2-Sigma+, B2-Pi, C2-Sigma+, D2-Sigma+ and E2-Pi States and for the B2-Pi-]A2-Sigma+ System in HehTheodorakopoulos, Giannoula; Petsalakis, Ioannis D.; Nicolaides, Cleanthes A.; Buenker, R. J.
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1987Potential-Energy Hypersurfaces of H-4 in the Ground and the 1st 2 Singlet Excited Electronic StatesTheodorakopoulos, Giannoula; Petsalakis, Ioannis D.; Nicolaides, Cleanthes A.
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1988Valence Bond Analysis of Molecular-Orbital Wavefunctions - the Ionicity of the Bi-Sigma-U+ State of H-2Karafiloglou, P.; Theodorakopoulos, Giannoula; Petsalakis, Ioannis D.
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1988Theoretical Calculations on Electronic-Transitions for H-3, Including Rydberg and Transition-State SpectraPetsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Wright, J. S.
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1989Theoretical Calculations on the Ground Electronic State of Hene+Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Barclay, V. J.
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1989Theoretical Calculations on Radiative and Nonradiative Processes of Quartet States of HehPetsalakis, Ioannis D.; Theodorakopoulos, Giannoula
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