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Results: 1-17 |
Results: 17
Fast computation of cross-validated properties in full linear leave-many-out procedures
Authors: Besalu, E
Citation: E. Besalu, Fast computation of cross-validated properties in full linear leave-many-out procedures, J MATH CHEM, 29(3), 2001, pp. 191-204
Extended Sobolev and Hilbert spaces and approximate stationary solutions for electronic systems within the non-linear Schrodinger equation
Authors: Carbo-Dorca, R Besalu, E
Citation: R. Carbo-dorca et E. Besalu, Extended Sobolev and Hilbert spaces and approximate stationary solutions for electronic systems within the non-linear Schrodinger equation, J MATH CHEM, 29(1), 2001, pp. 3-20
On the optimal selection of principal components in QSPR studies
Authors: Besalu, E Vera, L
Citation: E. Besalu et L. Vera, On the optimal selection of principal components in QSPR studies, J MATH CHEM, 29(1), 2001, pp. 21-34
Generalized one-electron spin functions and self-similarity measures
Authors: Besalu, E Carbo-Dorca, R Karwowski, J
Citation: E. Besalu et al., Generalized one-electron spin functions and self-similarity measures, J MATH CHEM, 29(1), 2001, pp. 41-45
On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states (vol 22, pg 387, 2001)
Authors: Anglada, JM Besalu, E Bofill, JM Crehuet, R
Citation: Jm. Anglada et al., On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states (vol 22, pg 387, 2001), J COMPUT CH, 22(7), 2001, pp. 803-803
On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states
Authors: Anglada, JM Besalu, E Bofill, JM Crehuet, R
Citation: Jm. Anglada et al., On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states, J COMPUT CH, 22(4), 2001, pp. 387-406
Identification of active molecular sites using quantum-self-similarity measures
Authors: Amat, L Besalu, E Carbo-Dorca, R Ponec, R
Citation: L. Amat et al., Identification of active molecular sites using quantum-self-similarity measures, J CHEM INF, 41(4), 2001, pp. 978-991
Remarks on large-scale matrix diagonalization using a Lagrange-Newton-Raphson minimization in a subspace (vol 103, pg 163, 1999)
Authors: Anglada, JM Besalu, E Bofill, JM
Citation: Jm. Anglada et al., Remarks on large-scale matrix diagonalization using a Lagrange-Newton-Raphson minimization in a subspace (vol 103, pg 163, 1999), THEOR CH AC, 104(5), 2000, pp. 414-414
Quantum chemistry, Sobolev spaces and SCF
Authors: Bach, A Amat, L Besalu, E Carbo-Dorca, R Ponec, R
Citation: A. Bach et al., Quantum chemistry, Sobolev spaces and SCF, J MATH CHEM, 28(1-3), 2000, pp. 59-70
Quantum mechanical origin of QSAR: theory and applications
Authors: Carbo-Dorca, R Amat, L Besalu, E Girones, X Robert, D
Citation: R. Carbo-dorca et al., Quantum mechanical origin of QSAR: theory and applications, J MOL ST-TH, 504, 2000, pp. 181-228
Extended density functions
Authors: Carbo-Dorca, R Besalu, E Girones, X
Citation: R. Carbo-dorca et al., Extended density functions, ADV QUANT C, 38, 2000, pp. 1-63
Remarks on large-scale matrix diagonalization using a Lagrange-Newton-Raphson minimization in a subspace
Authors: Anglada, JM Besalu, E Bofill, JM
Citation: Jm. Anglada et al., Remarks on large-scale matrix diagonalization using a Lagrange-Newton-Raphson minimization in a subspace, THEOR CH AC, 103(2), 1999, pp. 163-166
A naive look on the Hohenberg-Kohn theorem
Authors: Sen, KD Besalu, E Carbo-Dorca, R
Citation: Kd. Sen et al., A naive look on the Hohenberg-Kohn theorem, J MATH CHEM, 25(2-3), 1999, pp. 253-257
Another way to implement the Powell formula for updating Hessian matrices related to transition structures
Authors: Anglada, JM Besalu, E Bofill, JM Rubio, J
Citation: Jm. Anglada et al., Another way to implement the Powell formula for updating Hessian matrices related to transition structures, J MATH CHEM, 25(1), 1999, pp. 85-92
Prediction of approximate transition states by Bell-Evans-Polanyi principle: I
Authors: Anglada, JM Besalu, E Bofill, JM Crehuet, R
Citation: Jm. Anglada et al., Prediction of approximate transition states by Bell-Evans-Polanyi principle: I, J COMPUT CH, 20(11), 1999, pp. 1112-1129
Prediction of approximate transition states by Bell-Evans-Polanyi principle: II. Gas phase unimolecular decomposition of methyldioxirane
Authors: Anglada, JM Besalu, E Bofill, JM Crehuet, R
Citation: Jm. Anglada et al., Prediction of approximate transition states by Bell-Evans-Polanyi principle: II. Gas phase unimolecular decomposition of methyldioxirane, J COMPUT CH, 20(11), 1999, pp. 1130-1137
On the automatic restricted-step rational-function-optimization method
Authors: Besalu, E Bofill, JM
Citation: E. Besalu et Jm. Bofill, On the automatic restricted-step rational-function-optimization method, THEOR CH AC, 100(5-6), 1998, pp. 265-274
Risultati: 1-17 |