Author: "McDowell, C. A." / Journal: strategies and applications in quantum chemistry : from molecular astrophysics to molecular engineering - Searchworks@Jio Institute Digital Library Search Results

1. Ab-initio Study of the Intramolecular Hydrogen Shift in Nitromethane and its Acid-dissociated Anion

Author: Tao, Y., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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2. C3H2: A Puzzling Interstellar Small Molecule

Author: Pauzat, F., Talbi, D., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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3. From Cluster to Infinite Solid: a Quantum Study of the Electronic Properties of MoO3

Author: Rahmouni, A., Barbier, C., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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4. Ab initio Calculations on Muonium Adducts of Fullerenes

Author: Claxton, T. A., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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5. Magnesium Photoionization: a K-matrix Calculation with GTO Bases

Author: Moccia, R., Spizzo, P., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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6. Investigation of Photochemical Paths by a Combined Theoretical and Experimental Approach

Author: Momicchioli, F., Baraldi, I., Carnevali, A., Ponterini, G., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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7. Theoretical Treatment of State-selective Charge Transfer Processes. N5++He as a Case Study

Author: Bacchus-Montabonel, M. C., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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8. An ab initio Study of the Magnetic Properties of the Isoelectronic Series BeH−, BH, CH+ and MgH−, AlH, SiH+

Author: Nait Achour, M., Boucekkine, A., Lissillour, R., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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9. An Ab initio Study of the Lowest 1,3Σ+ States of BH. Quasi Diabatic Curves and Vibronic Couplings

Author: Persico, M., Cimiraglia, R., Spiegelmann, F., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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10. Coupled Hartree-Fock Approach to Electric Hyperpolarizability Tensors in Benzene

Author: Lazzeretti, P., Malagoli, M., Zanasi, R., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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11. Ab-initio Calculations of Polarizabilities in Molecules: Some Proposals to this Challenging Problem

Author: Tadjeddine, M., Flament, J. P., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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12. CI Calculations of Miscellaneous Spectroscopic Observables for the PN X1Σ, A1Π and 1Δ States

Author: de Brouckere, G., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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13. Vibrational Modulation Effects on EPR Spectra

Author: Barone, V., Grand, A., Minichino, C., Subra, R., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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14. Second Order Static Hyperpolarizabilities of Insaturated Polymers

Author: Hammoutene, D., Boucekkine, G., Boucekkine, A., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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15. Quantum Chemistry in Front of Symmetry-breakings

Author: Malrieu, J. P., Daudey, J. P., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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16. Quasicrystals and Momentum Space

Author: Calais, J. L., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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17. Theory of Orbital Optimisation in SCF and MCSCF Calculations

Author: Chavy, C., Ridard, J., Levy, B., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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18. Molecular Orbital Electronegativity as Electron Chemical Potential in Semiempirical SCF Schemes

Author: Del Re, G., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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19. A Coupled MCSCF-perturbation Treatment for Electronic Spectra

Author: Parisel, O., Ellinger, Y., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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20. Convergence of Expansions in a Gaussian Basis

Author: Kutzelnigg, W., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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21. How Much Correlation Can We Expect to Account for in Density Functional Calculations ? Case Studies of Electrostatic Properties of Small Molecules

Author: Weber, J., Jaber, P., Gulbinat, P., Morgantini, P. -Y., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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22. Applications of Nested Summation Symbols to Quantum Chemistry: Formalism and Programming Techniques

Author: Carbó, R., Besalú, E., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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23. Reduced Density Matrix versus Wave Function: Recent Developments

Author: Valdemoro, C., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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24. FSGO Hartree-Fock Instabilities of Hydrogen in External Electric Fields

Author: Andre, J. M., Hardy, G., Mosley, D. H., Piela, L., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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25. Quantum Chemistry Computations in Momentum Space

Author: Defranceschi, M., Delhalle, J., De Windt, L., Fischer, P., Fripiat, J. G., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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26. An Application of the Half-projected Hartree-Fock Model to the Direct Determination of the Lowest Singlet and Triplet Excited States of Molecular Systems

Author: Smeyers, Y. G., Fernandez-Serra, P., Ruiz, M. B., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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27. Core-hole States and the Koopmans Theorem

Author: Amovilli, C., McWeeny, R., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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28. Core-valence Separation in the Study of Atomic Clusters

Author: Salvetti, O., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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29. Electronic Charge Density of Quantum Systems in the Presence of an Electric Field: a Search for Alternative Approaches

Author: Arrighini, G. P., Guidotti, C., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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30. Quantum Chemistry: The New Frontiers

Author: Tomasi, J., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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31. The Real Generators of the Unitary Group

Author: Cassam-Chenai, P., Lipscomb, W. N., editor, Maruani, Jean, editor, Atlan, Henri, editor, Barton, Derek, editor, Bonnelle, Christiane, editor, Caro, Paul, editor, Christov, Stefan, editor, Csizmadia, I. G., editor, de Gennes, P-G., editor, Dubois, J-E., editor, Eigen, Manfred, editor, Fukui, Kenishi, editor, Herzberg, Gerhard, editor, Laforgue, Alexandre, editor, Lehn, J-M., editor, Löwdin, P-O., editor, MacLeod, Patrick, editor, McConnell, H. M., editor, McDowell, C. A., editor, McWeeny, Roy, editor, Prigogine, Ilya, editor, Rigny, Paul, editor, Woolley, R. G., editor, Ellinger, Y., editor, and Defranceschi, M., editor
Published: 2002
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31 results on '"McDowell, C. A."'

1. Ab-initio Study of the Intramolecular Hydrogen Shift in Nitromethane and its Acid-dissociated Anion

2. C3H2: A Puzzling Interstellar Small Molecule

3. From Cluster to Infinite Solid: a Quantum Study of the Electronic Properties of MoO3

4. Ab initio Calculations on Muonium Adducts of Fullerenes

5. Magnesium Photoionization: a K-matrix Calculation with GTO Bases

6. Investigation of Photochemical Paths by a Combined Theoretical and Experimental Approach

7. Theoretical Treatment of State-selective Charge Transfer Processes. N5++He as a Case Study

8. An ab initio Study of the Magnetic Properties of the Isoelectronic Series BeH−, BH, CH+ and MgH−, AlH, SiH+

9. An Ab initio Study of the Lowest 1,3Σ+ States of BH. Quasi Diabatic Curves and Vibronic Couplings

10. Coupled Hartree-Fock Approach to Electric Hyperpolarizability Tensors in Benzene

11. Ab-initio Calculations of Polarizabilities in Molecules: Some Proposals to this Challenging Problem

12. CI Calculations of Miscellaneous Spectroscopic Observables for the PN X1Σ, A1Π and 1Δ States

13. Vibrational Modulation Effects on EPR Spectra

14. Second Order Static Hyperpolarizabilities of Insaturated Polymers

15. Quantum Chemistry in Front of Symmetry-breakings

16. Quasicrystals and Momentum Space

17. Theory of Orbital Optimisation in SCF and MCSCF Calculations

18. Molecular Orbital Electronegativity as Electron Chemical Potential in Semiempirical SCF Schemes

19. A Coupled MCSCF-perturbation Treatment for Electronic Spectra

20. Convergence of Expansions in a Gaussian Basis

21. How Much Correlation Can We Expect to Account for in Density Functional Calculations ? Case Studies of Electrostatic Properties of Small Molecules

22. Applications of Nested Summation Symbols to Quantum Chemistry: Formalism and Programming Techniques

23. Reduced Density Matrix versus Wave Function: Recent Developments

24. FSGO Hartree-Fock Instabilities of Hydrogen in External Electric Fields

25. Quantum Chemistry Computations in Momentum Space

26. An Application of the Half-projected Hartree-Fock Model to the Direct Determination of the Lowest Singlet and Triplet Excited States of Molecular Systems

27. Core-hole States and the Koopmans Theorem

28. Core-valence Separation in the Study of Atomic Clusters

29. Electronic Charge Density of Quantum Systems in the Presence of an Electric Field: a Search for Alternative Approaches

30. Quantum Chemistry: The New Frontiers

31. The Real Generators of the Unitary Group

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