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1

Nine questions on energy decomposition analysis

Andrés, Juan, Ayers, Paul W., Boto, Roberto A., Carbó-Dorca, Ramon, Chermette, Henry, Cioslowski, Jerzy, Contreras-García, Julia, Cooper, David L., Frenking, Gernot, Gatti, Carlo, Heidar-Zadeh, Farnaz

Journal:

Journal of Computational Chemistry

Year:

2019

Language:

english

File:

PDF, 2.97 MB

english, 2019

2

Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine

Albert Poater, Ana Gallegos Saliner, Ramon Carbó-Dorca, Jordi Poater, Miquel Solà, Luigi Cavallo, Andrew P. Worth

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 679 KB

english, 2009

3

On Einstein–Podolsky–Rosen Paradox

Ramon Carbó-Dorca

Journal:

Journal of Mathematical Chemistry

Year:

2007

Language:

english

File:

PDF, 91 KB

english, 2007

4

A study on Goldbach conjecture

Carbó-Dorca, Ramon

Journal:

Journal of Mathematical Chemistry

Year:

2016

Language:

english

File:

PDF, 407 KB

english, 2016

5

Refinement of a generalized Fermat’s last theorem conjecture in natural vector spaces

Carbó-Dorca, Ramon, Muñoz-Caro, Camelia, Niño, Alfonso, Reyes, Sebastián

Journal:

Journal of Mathematical Chemistry

Year:

2017

Language:

english

File:

PDF, 405 KB

english, 2017

6

Notes on quantitative structure-properties relationships (QSPR) (1): A discussion on a QSPR dimensionality paradox (QSPR DP) and its quantum resolution

Ramon Carbó-Dorca, Ana Gallegos, Ángel J. Sánchez

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 247 KB

english, 2009

7

Notes on quantitative structure-properties relationships (QSPR) part 2: The role of the number of atoms as a molecular descriptor

Ramon Carbó-Dorca, Ana Gallegos Saliner

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 91 KB

english, 2009

8

Quantum Mechanical Basis for Mulliken Population Analysis

Ramon Carbó-Dorca, Patrick Bultinck

Journal:

Journal of Mathematical Chemistry

Year:

2004

Language:

english

File:

PDF, 74 KB

english, 2004

9

Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method

Bultinck, P., Langenaeker, W., Carbo-Dorca, R., Tollenaere, J.P.

Journal:

Journal of Chemical Information and Modeling

Year:

2003

Language:

english

File:

PDF, 58 KB

english, 2003

10

Quantum mechanical origin of QSAR: theory and applications

R. Carbó-Dorca, L. Amat, E. Besalú, X. Gironés, D. Robert

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2000

Language:

english

File:

PDF, 810 KB

english, 2000

11

Rayleigh-Schrödinger Perturbation Theory in Matrix Form

Besalú, Emili, Carbó-Dorca, Ramon

Journal:

Journal of Chemical Education

Year:

1998

Language:

english

File:

PDF, 175 KB

english, 1998

12

Using Molecular Quantum Similarity Measures under Stochastic Transformation To Describe Physical Properties of Molecular Systems

Girones, X., Carbo-Dorca, R.

Journal:

Journal of Chemical Information and Modeling

Year:

2002

Language:

english

File:

PDF, 85 KB

english, 2002

13

Coulomb repulsion, point-like nuclear charges, Dirac paradox, soft nuclear charge density and hypermultiplet nuclear repulsion

Carbó-Dorca, Ramon

Journal:

Journal of Mathematical Chemistry

Year:

2015

Language:

english

File:

PDF, 181 KB

english, 2015

14

[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

Year:

2000

Language:

english

File:

PDF, 11.25 MB

english, 2000

15

N-dimensional Boolean hypercubes and the goldbach conjecture

Carbó-Dorca, Ramon

Journal:

Journal of Mathematical Chemistry

Year:

2016

Language:

english

File:

PDF, 378 KB

english, 2016

16

A theorem on the Gram matrix of a polyhedron

Carbó-Dorca, Ramon

Journal:

Journal of Mathematical Chemistry

Year:

2017

Language:

english

File:

PDF, 467 KB

english, 2017

17

Hypercubes defined on n-ary sets, the Erdös–Faber–Lovász conjecture on graph coloring, and the description spaces of polypeptides and RNA

Carbó-Dorca, Ramon, Chakraborty, Tanmoy

Journal:

Journal of Mathematical Chemistry

Year:

2019

Language:

english

File:

PDF, 1004 KB

english, 2019

18

Cantor-like transfinite sequences and Gödel-like incompleteness revealed by means of Mersenne transfinite dimensional boolean hypercube concatenation

Carbó-Dorca, Ramon

Journal:

Journal of Mathematical Chemistry

Year:

2019

Language:

english

File:

PDF, 735 KB

english, 2019

19

Chemical bonds from the condition of minimal pair fluctuation: Correlated case

Robert Ponec, Ramon Carbó-Dorca

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 149 KB

english, 1999

20

General trends in atomic and nuclear quantum similarity measures

David Robert, Ramon Carbó-Dorca

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 399 KB

english, 2000

21

Quantum similarity approach to LFER: substituent and solvent effects on the acidities of carboxylic acids

Robert Ponec, Lluís Amat, Ramon Carbó-Dorca

Journal:

Journal of Physical Organic Chemistry

Year:

1999

Language:

english

File:

PDF, 83 KB

english, 1999

22

Stochastic transformation of quantum similarity matrices and their use in quantum QSAR (QQSAR) models

Ramon Carbó-Dorca

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 244 KB

english, 2000

23

Quantum similarity QSAR: Study of inhibitors binding to thrombin, trypsin, and factor Xa, including a comparison with CoMFA and CoMSIA methods

David Robert, Lluís Amat, Ramon Carbó-Dorca

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 388 KB

english, 2000

24

Estimation of infinite dilution activity coefficients of organic compounds in water with neural classifiers

Francesc Giralt, G. Espinosa, A. Arenas, J. Ferre-Gine, L. Amat, X. Gironés, R. Carbó-Dorca, Y. Cohen

Journal:

Year:

2004

Language:

english

File:

PDF, 1.20 MB

english, 2004

25

ChemInform Abstract: Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study.

L. AMAT, D. ROBERT, E. BESALU, R. CARBO-DORCA

Journal:

Year:

1998

File:

PDF, 24 KB

1998

26

ChemInform Abstract: Modeling Antimalarial Activity: Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR.

Xavier Girones, Ana Gallegos, Ramon Carbo-Dorca

Journal:

Year:

2001

File:

PDF, 24 KB

2001

27

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

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

Journal:

Year:

2001

File:

PDF, 24 KB

2001

28

ChemInform Abstract: Molecular Quantum Similarity and the Fundamentals of QSAR

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

Journal:

Year:

2002

File:

PDF, 24 KB

2002

29

Modeling Large Macromolecular Structures Using Promolecular Densities.

Xavier Girones, Lluis Amat, Ramon Carbo-Dorca

Journal:

Year:

2002

File:

PDF, 23 KB

2002

30

Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets.

Xavier Girones, Ramon Carbo-Dorca

Journal:

Year:

2002

File:

PDF, 24 KB

2002

31

Molecular Quantum Similarity Analysis of Estrogenic Activity.

Ana Gallegos Saliner, Lluis Amat, Ramon Carbo-Dorca, T. Wayne Schultz, Mark T. D. Cronin

Journal:

Year:

2003

File:

PDF, 51 KB

2003

32

Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum Similarity.

Patrick Bultinck, Ramon Carbo-Dorca, Christian Van Alsenoy

Journal:

Year:

2003

File:

PDF, 51 KB

2003

33

Chemical structures from the analysis of domain-averaged Fermi holes: Multiple metalmetal bonding in transition metal compounds

Robert Ponec, Gleb Yuzhakov, Ramon Carbó-Dorca

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 357 KB

english, 2003

34

Maximal probability domains in linear molecules

A. Gallegos, R. Carbó-Dorca, F. Lodier, E. Cancès, A. Savin

Journal:

Journal of Computational Chemistry

Year:

2005

Language:

english

File:

PDF, 142 KB

english, 2005

35

Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach

Patrick Bultinck, Robert Ponec, Ramon Carbó-Dorca

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 232 KB

english, 2007

36

Commentaries on quantum similarity (1): Density gradient quantum similarity

Ramon Carbó-Dorca, Luz Dary Mercado

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 819 KB

english, 2010

37

Communications on quantum similarity (2): A geometric discussion on holographic electron density theorem and confined quantum similarity measures

R. Carbó-Dorca, E. Besalú

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 151 KB

english, 2010

38

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

Year:

2011

Language:

english

File:

PDF, 298 KB

english, 2011

39

Similarity approach to QSAR: Application to antimycobacterial benzoxazines

Ana Gallegos, Ramon Carbó-Dorca, Robert Ponec, Karel Waisser

Journal:

International Journal of Pharmaceutics

Year:

2004

Language:

english

File:

PDF, 113 KB

english, 2004

40

Unrevealed structural requirements for auxin-like molecules by theoretical and experimental evidences

Noel Ferro, Patrick Bultinck, Ana Gallegos, Hans-Jörg Jacobsen, Ramon Carbo-Dorca, Thomas Reinard

Journal:

Year:

2007

Language:

english

File:

PDF, 712 KB

english, 2007

41

LCAO MO first order density functions: Partition in monocentric and bicentric terms, reciprocal MO spaces, invariant transformations and Euclidian atomic populations

Ramon Carbó-Dorca

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 245 KB

english, 2010

42

Algebraic relationships between conceptual DFT quantities and the electronegativity equalization hardness matrix

Patrick Bultinck, Ramon Carbó-Dorca

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 93 KB

english, 2002

43

Classification of reaction pathways via momentum–space and quantum molecular similarity measures

Lluı&amp, #x0301, s Amat, Ramon Carbó-Dorca, David L. Cooper, Neil L. Allan

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 146 KB

english, 2003

44

Rational modelling of the voltage-dependent K+ channel inactivation by aminopyridines

Alfonso Niño, Camelia Muñoz-Caro, Ramón Carbó-Dorca, Xavier Gironés

Journal:

Biophysical Chemistry

Year:

2003

Language:

english

File:

PDF, 189 KB

english, 2003

45

Icosahedral symmetry structures with open-shell electronic configuration hN (N=1–9).

Boris N. Plakhutin, Ramon Carbó-Dorca

Journal:

Physics Letters A

Year:

2000

Language:

english

File:

PDF, 92 KB

english, 2000

46

Erratum to “Icosahedral symmetry structures with open-shell electronic configuration hN (N=1–9)”: [Phys. Lett. A 267 (2000) 370]

Boris N. Plakhutin, Ramon Carbó-Dorca

Journal:

Physics Letters A

Year:

2001

Language:

english

File:

PDF, 23 KB

english, 2001

47

Application of promolecular asa densities to graphical representation of density functions of macromolecular systems

X. Gironés, R. Carbó-Dorca, P.G. Mezey

Journal:

Journal of Molecular Graphics and Modelling

Year:

2001

Language:

english

File:

PDF, 2.84 MB

english, 2001

48

A comparative study of isodensity surfaces using ab initio and ASA density functions

Xavier Gironés, Lluı́s Amat, Ramon Carbó-Dorca

Journal:

Journal of Molecular Graphics and Modelling

Year:

1998

Language:

english

File:

PDF, 365 KB

english, 1998

49

Application of Molecular Quantum Similarity to QSAR

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

Journal:

Molecular Informatics

Year:

1997

Language:

english

File:

PDF, 630 KB

english, 1997

50

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

Year:

1997

Language:

english

File:

PDF, 675 KB

english, 1997