Emili Besalu : rechercher sur Z-Library

Le plus grand référentiel d'articles scientifiques au monde. 70,000,000+ d'articles gratuitement.

Don't use scam websites

Livres
Articles (70)
Les plus populaires
Liste
- Liste
- Tableau

1

Two-Variable Linear Regression: Modeling with Orthogonal Least-Squares Analysis

Vicente de Julián-Ortiz, J., Pogliani, Lionello, Besalú, Emili

Journal:

Journal of Chemical Education

Année:

2010

Langue:

english

Fichier:

PDF, 557 KB

english, 2010

2

Definition, mathematical examples and quantum chemical applications of nested summation symbols and logical Kronecker deltas

Ramon Carbó, Emili Besalú

Journal:

Computers & Chemistry

Année:

1994

Langue:

english

Fichier:

PDF, 999 KB

english, 1994

3

Multivariate analysis of volatile compounds detected by headspace solid-phase microextraction/gas chromatography: A tool for sensory classification of cork stoppers

Chantal Prat, Emili Besalú, Lluís Bañeras, Enriqueta Anticó

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 315 KB

english, 2011

4

Definition and quantum chemical applications of nested summation symbols and logical functions: Pedagogical artificial intelligence devices for formulae writing, sequential programming and automatic parallel implementation

Ramon Carbó, Emili Besalú

Journal:

Journal of Mathematical Chemistry

Année:

1995

Langue:

english

Fichier:

PDF, 2.37 MB

english, 1995

5

An overlooked property of plot methods

Emili Besalú, J. Vicente de. Julián-Ortiz, Monica Iglesias, Lionello Pogliani

Journal:

Journal of Mathematical Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 152 KB

english, 2006

6

Fast Computation of Cross-Validated Properties in Full Linear Leave-Many-Out Procedures

Journal:

Journal of Mathematical Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 128 KB

english, 2001

7

A naive look on the Hohenberg–Kohn theorem

K.D. Sen, Emili Besalú, Ramon Carbó‐Dorca

Journal:

Journal of Mathematical Chemistry

Année:

1999

Langue:

english

Fichier:

PDF, 48 KB

english, 1999

8

Rayleigh-Schrödinger Perturbation Theory in Matrix Form

Besalú, Emili, Carbó-Dorca, Ramon

Journal:

Journal of Chemical Education

Année:

1998

Langue:

english

Fichier:

PDF, 175 KB

english, 1998

9

Ethanol/Water Extraction Combined with Solid-Phase Extraction and Solid-Phase Microextraction Concentration for the Determination of Chlorophenols in Cork Stoppers

Insa, Sara, Besalú, Emili, Iglesias, Cristina, Salvadó, Victòria, Anticó, Enriqueta

Journal:

Journal of Agricultural and Food Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 108 KB

english, 2006

10

Trends and Plot Methods in MLR Studies

Besalú, Emili, de Julián-Ortiz, Jesus V., Pogliani, Lionello

Journal:

Journal of Chemical Information and Modeling

Année:

2007

Langue:

english

Fichier:

PDF, 136 KB

english, 2007

11

[Lecture Notes in Chemistry] Molecular Quantum Similarity in QSAR and Drug Design Volume 73 ||

Carbó-Dorca, Ramon, Robert, David, Amat, Lluís, Gironés, Xavier, Besalú, Emili

Année:

2000

Langue:

english

Fichier:

PDF, 11.25 MB

english, 2000

12

On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states

Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet

Journal:

Journal of Computational Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 334 KB

english, 2001

13

ChemInform Abstract: Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures.

Lluis Amat, Emili Besalu, Ramon Carbo-Dorca, Robert Ponec

Journal:

Année:

2001

Fichier:

PDF, 24 KB

2001

14

ChemInform Abstract: Molecular Quantum Similarity and the Fundamentals of QSAR

Emili Besalu, Xavier Girones, Lluis Amat, Ramon Carbo-Dorca

Journal:

Année:

2002

Fichier:

PDF, 24 KB

2002

15

On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states

Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet

Journal:

Journal of Computational Chemistry

Année:

2001

Fichier:

PDF, 78 KB

2001

16

Communications on quantum similarity, part 3: A geometric-quantum similarity molecular superposition algorithm

Ramon Carbó-Dorca, Emili Besalú, Luz Dary Mercado

Journal:

Journal of Computational Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 298 KB

english, 2011

17

Assessment of the matrix effect on the headspace solid-phase microextraction (HS-SPME) analysis of chlorophenols in wines

Sara Insa, Emili Besalú, Victòria Salvadó, Enriqueta Anticó

Journal:

Journal of Separation Science

Année:

2007

Langue:

english

Fichier:

PDF, 672 KB

english, 2007

18

Odour-causing organic compounds in wastewater treatment plants: Evaluation of headspace solid-phase microextraction as a concentration technique

Anna Godayol, Mònica Alonso, Emili Besalú, Juan M. Sanchez, Enriqueta Anticó

Journal:

Journal of Chromatography A

Année:

2011

Langue:

english

Fichier:

PDF, 444 KB

english, 2011

19

Introduction

Miquel Duran, Miquel Solá, Emili Besalú

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2005

Langue:

english

Fichier:

PDF, 36 KB

english, 2005

20

Application of Molecular Quantum Similarity to QSAR

Xavier Fradera, Lluís Amat, Emili Besalü, Ramon Carbó-Dorca

Journal:

Molecular Informatics

Année:

1997

Langue:

english

Fichier:

PDF, 630 KB

english, 1997

21

Structure-Activity Relationships of a Steroid Family using Quantum Similarity Measures and Topological Quantum Similarity Indices

Miquel Lobato, Lluís Amat, Emili Besalú, Ramon Carbó-Dorca

Journal:

Molecular Informatics

Année:

1997

Langue:

english

Fichier:

PDF, 675 KB

english, 1997

22

Fundamental quantum QSAR (Q2SAR) equation: extensions, nonlinear terms, and generalizations within extended Hilbert–Sobolev spaces

Ramon Carbó-Dorca, Emili Besalú

Journal:

International Journal of Quantum Chemistry

Année:

2002

Langue:

english

Fichier:

PDF, 217 KB

english, 2002

23

Triple density molecular quantum similarity measures: A general connection between theoretical calculations and experimental results

Ramon Carbó, Blanca Calabuig, Emili Besalú, Antoni Martínez

Journal:

Molecular Engineering

Année:

1992

Langue:

english

Fichier:

PDF, 1.11 MB

english, 1992

24

A procedure to obtain an accurate approximation to a full CI wavefunction

Ramon Carbó-Dorca, Emili Besalú

Journal:

Journal of Mathematical Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 529 KB

english, 1996

25

Extending molecular similarity to energy surfaces: Boltzmann similarity measures and indices

Ramon Carbó-Dorca, Emili Besalú

Journal:

Journal of Mathematical Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 905 KB

english, 1996

26

Nested summation symbols and perturbation theory

Ramon Carbó, Emili Besalú

Journal:

Journal of Mathematical Chemistry

Année:

1993

Langue:

english

Fichier:

PDF, 771 KB

english, 1993

27

Generalized Rayleigh-Schrödinger perturbation theory in matrix form

Emili Besalú, Ramon Carbó

Journal:

Journal of Mathematical Chemistry

Année:

1994

Langue:

english

Fichier:

PDF, 572 KB

english, 1994

28

The vibrational auto-adjusting perturbation theory

Eduard Matito, Juan Manuel Barroso, Emili Besalú, Ove Christiansen, Josep M. Luis

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2009

Langue:

english

Fichier:

PDF, 382 KB

english, 2009

29

On the automatic restricted-step rational-function-optimization method

Emili Besalú, Josep Maria Bofill

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

1998

Langue:

english

Fichier:

PDF, 182 KB

english, 1998

30

Remarks on large-scale matrix diagonalization using a Lagrange–Newton–Raphson minimization in a subspace

Josep Maria Anglada, Emili Besalú, Josep Maria Bofill

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

1999

Langue:

english

Fichier:

PDF, 88 KB

english, 1999

31

Generation of Molecular Fields, Quantum Similarity Measures and Related Questions

Ramon Carbó-Dorca, Emili Besalú

Journal:

Journal of Mathematical Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 122 KB

english, 2006

32

A Gaussian holographic theorem and the projection of electronic density functions into the surface of a sphere

Ramon Carbó-Dorca, Emili Besalú

Journal:

Journal of Mathematical Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 138 KB

english, 2010

33

Geometry of n-dimensional Euclidean space Gaussian enfoldments

Ramon Carbó-Dorca, Emili Besalú

Journal:

Journal of Mathematical Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 109 KB

english, 2011

34

The general Gaussian product theorem

Emili Besalú, Ramon Carbó-Dorca

Journal:

Journal of Mathematical Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 226 KB

english, 2011

35

Shells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces

Ramon Carbó-Dorca, Emili Besalú

Journal:

Journal of Mathematical Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 155 KB

english, 2012

36

On the optimal selection of principal components in QSPR studies

Emili Besalú, Leonel Vera

Journal:

Journal of Mathematical Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 403 KB

english, 2001

37

Extended Sobolev and Hilbert spaces and approximate stationary solutions for electronic systems within the non-linear Schrödinger equation

Ramon Carbó-Dorca, Emili Besalú

Journal:

Journal of Mathematical Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 155 KB

english, 2001

38

Quantum chemistry, Sobolev spaces and SCF

Albert Bach, Lluis Amat, Emili Besalú, Ramon Carbó-Dorca, Robert Ponec

Journal:

Journal of Mathematical Chemistry

Année:

2000

Langue:

english

Fichier:

PDF, 127 KB

english, 2000

39

An iterative method to solve the algebraic eigenvalue problem

Emili Besalú, Ramon Carbó‐Dorca

Journal:

Journal of Mathematical Chemistry

Année:

1997

Langue:

english

Fichier:

PDF, 486 KB

english, 1997

40

Rayleigh–Schrödinger perturbation theory: Practical implementation of matrix and vector formalisms and description of an heuristic sufficiency convergence criterion

Emili Besalú, Ramon Carbó‐Dorca

Journal:

Journal of Mathematical Chemistry

Année:

1997

Langue:

english

Fichier:

PDF, 469 KB

english, 1997

41

Another way to implement the Powell formula for updating Hessian matrices related to transition structures

Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Jaime Rubio

Journal:

Journal of Mathematical Chemistry

Année:

1999

Langue:

english

Fichier:

PDF, 81 KB

english, 1999

42

Virtual generation of agents againstMycobacterium tuberculosis. A QSAR study

Emili Besalú, Robert Ponec, Jesus Vicente de Julián-Ortiz

Journal:

Molecular Diversity

Année:

2003

Langue:

english

Fichier:

PDF, 231 KB

english, 2003

43

Molecular Quantum Similarity and the Fundamentals of QSAR

Besalú, Emili, Gironés, Xavier, Amat, Lluís, Carbó-Dorca, Ramon

Journal:

Accounts of Chemical Research

Année:

2002

Langue:

english

Fichier:

PDF, 100 KB

english, 2002

44

On the nature of atomic shell approximation (ASA) electrostatic molecular potentials (EMP)

Ramon Carbó-Dorca, Emili Besalú

Journal:

Journal of Mathematical Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 196 KB

english, 2012

45

Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons

Carbó-Dorca, Ramon, Besalú, Emili

Journal:

Journal of Mathematical Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 207 KB

english, 2012

46

A general survey of molecular quantum similarity

Ramon Carbó-Dorca, Emili Besalú

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1998

Langue:

english

Fichier:

PDF, 161 KB

english, 1998

47

A headspace needle-trap method for the analysis of volatile organic compounds in whole blood

Monica Alonso, Mar Castellanos, Emili Besalú, Juan M. Sanchez

Journal:

Journal of Chromatography A

Année:

2012

Langue:

english

Fichier:

PDF, 734 KB

english, 2012

48

Improvement of cyclic decapeptides against plant pathogenic bacteria using a combinatorial chemistry approach

Sylvie Monroc, Esther Badosa, Emili Besalú, Marta Planas, Eduard Bardají, Emili Montesinos, Lidia Feliu

Journal:

Année:

2006

Langue:

english

Fichier:

PDF, 394 KB

english, 2006

49

A library of linear undecapeptides with bactericidal activity against phytopathogenic bacteria

Esther Badosa, Rafael Ferre, Marta Planas, Lidia Feliu, Emili Besalú, Jordi Cabrefiga, Eduard Bardají, Emilio Montesinos

Journal:

Année:

2007

Langue:

english

Fichier:

PDF, 862 KB

english, 2007

50

Antimicrobial cyclic decapeptides with anticancer activity

Lidia Feliu, Glòria Oliveras, Anna D. Cirac, Emili Besalú, Cristina Rosés, Ramon Colomer, Eduard Bardají, Marta Planas, Teresa Puig

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 346 KB

english, 2010