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1

Genetic markers for the discrimination of native and non-native atlantic salmon in Europe

E. Yerspoor, I. Wilson, L. Bourke, T. Cross, A. Ferguson, E. Garcia-Vazqllez, D. Knox, A. Martin-Pendas, C. Stone, J. Taggart

Journal:

Year:

1995

Language:

english

File:

PDF, 155 KB

english, 1995

2

Two-electron integrations in the Quantum Theory of Atoms in Molecules with correlated wave functions

A. Martín Pendás, E. Francisco, M. A. Blanco

Journal:

Journal of Computational Chemistry

Year:

2005

Language:

english

File:

PDF, 119 KB

english, 2005

3

Structural and chemical stability of halide perovskites

Víctor Luaña, Aurora Costales, A.Martín Pendás, M. Flórez, Víctor M. García Fernández

Journal:

Solid State Communications

Year:

1997

Language:

english

File:

PDF, 435 KB

english, 1997

4

Reduced-size representations of high-quality atomic densities. The hybrid Gaussian–exponential case

E. Francisco, L. Pueyo, A. Martín Pendás

Journal:

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

Year:

2004

Language:

english

File:

PDF, 365 KB

english, 2004

5

Bonding between strongly repulsive metal atoms: an oxymoron made real in a confined space of endohedral metallofullerenes

Popov, Alexey A., Avdoshenko, Stas M., Pendás, Angel Martín, Dunsch, Lothar

Journal:

Chemical Communications

Year:

2012

Language:

english

File:

PDF, 4.43 MB

english, 2012

6

Ions in crystals: The topology of the electron density in ionic materials. I. Fundamentals

Martín Pendás, A., Costales, Aurora, Luaña, Víctor

Journal:

Physical Review B

Year:

1997

Language:

english

File:

PDF, 3.06 MB

english, 1997

7

Interacting Quantum Atoms: A Correlated Energy Decomposition Scheme Based on the Quantum Theory of Atoms in Molecules

Blanco, M. A., Martín Pendás, A., Francisco, E.

Journal:

Journal of Chemical Theory and Computation

Year:

2005

Language:

english

File:

PDF, 215 KB

english, 2005

8

Pauling Resonant Structures in Real Space through Electron Number Probability Distributions

Pendás, A. Martín, Francisco, E., Blanco, M. A.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 102 KB

english, 2007

9

Universal Features of the Topological Bond Properties of the Electron Density

Costales, Aurora, Blanco, M. A., Martín Pendás, A., Mori-Sánchez, Paula, Luaña, Víctor

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 236 KB

english, 2004

10

A Molecular Energy Decomposition Scheme for Atoms in Molecules

Francisco, E., Martín Pendás, A., Blanco, M. A.

Journal:

Journal of Chemical Theory and Computation

Year:

2006

Language:

english

File:

PDF, 163 KB

english, 2006

11

Derivation of electron-gas interatomic potentials from quantum-mechanical descriptions of ions in crystals

Francisco, E., Recio, J. M., Blanco, M. A., Pendás, A. Martín, Pueyo, L.

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 636 KB

english, 1995

12

polymorphs

Pendás, A. Martín, Recio, J. M., Flórez, M., Luaña, Víctor, Bermejo, M.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 657 KB

english, 1994

13

interaction for atomistic simulations

Francisco, E., Recio, J. M., Blanco, M. A., Pendás, A. Martín

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 313 KB

english, 1995

14

Low- and high-pressure ab initio equations of state for the alkali chlorides

Recio, J. M., Pendás, A. Martín, Francisco, E., Flórez, M., Luaña, Víctor

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 558 KB

english, 1993

15

Pressure-induced B 1- B 2 phase transition in alkali halides: General aspects from first-principles calculations

Pendás, A. Martín, Luaña, V., Recio, J. M., Flórez, M., Francisco, E., Blanco, M. A., Kantorovich, L. N.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 622 KB

english, 1994

16

Universal compressibility behaviour of ions in ionic crystals

Taravillo, M., del Corro, E., Contreras-García, J., Pendás, A. Martín, Flórez, M., Recio, J. M., Baonza, V. G.

Journal:

High Pressure Research

Year:

2009

Language:

english

File:

PDF, 207 KB

english, 2009

17

Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities

Holguín-Gallego, Fernando José, Chávez-Calvillo, Rodrigo, García-Revilla, Marco, Francisco, Evelio, Pendás, Ángel Martín, Rocha-Rinza, Tomás

Journal:

Journal of Computational Chemistry

Year:

2016

Language:

english

File:

PDF, 338 KB

english, 2016

18

Cooperative and anticooperative effects in resonance assisted hydrogen bonds in merged structures of malondialdehyde

Romero-Montalvo, Eduardo, Guevara-Vela, José Manuel, Costales, Aurora, Pendas, Angel Martin, Rocha-Rinza, Tomás

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 6.82 MB

english, 2016

19

Beryllium Bonding in the Light of Modern Quantum Chemical Topology Tools

Casals-Sainz, José Luis, Jiménez-Grávalos, Fernando, Costales, Aurora, Francisco, Evelio, Martín Pendás, Angel

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 5.27 MB

english, 2017

20

Application of the Interacting Quantum Atoms Approach to the S66 and Ionic-HB Datasets for Noncovalent Interactions

Suarez, Dimas, Díaz, Natalia, Martín Pendás, Angel, Francisco, Evelio

Journal:

Year:

2018

Language:

english

File:

PDF, 3.75 MB

english, 2018

21

Quantum Chemical Topology as a Theory of Open Quantum Systems

Martín Pendás, Angel, Francisco, Evelio

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 2.00 MB

english, 2018

22

DFT performance in the IQA energy partition of small water clusters

Jiménez-Grávalos, Fernando, Casals-Sainz, José Luis, Francisco, Evelio, Rocha-Rinza, Tomás, Martín Pendás, Ángel, Guevara-Vela, José Manuel

Journal:

Theoretica Chimica Acta

Year:

2020

Language:

english

File:

PDF, 3.14 MB

english, 2020

23

Bond Paths as Privileged Exchange Channels

A. Martín Pendás, Evelio Francisco, Miguel A. Blanco, Carlo Gatti

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 377 KB

english, 2007

24

ChemInform Abstract: Structure and Bonding in Magnesium Difluoride Clusters: The MgF2 Molecule

E. Francisco, A. Costales, A. Martin Pendas

Journal:

Year:

2001

File:

PDF, 26 KB

2001

25

ChemInform Abstract: Structure and Bonding in Magnesium Difluoride Clusters: The (MgF2)n (n = 2—3) Clusters

E. Francisco, A. Martin Pendas, A. Costales

Journal:

Year:

2002

File:

PDF, 29 KB

2002

26

ChemInform Abstract: Chemical Bonding in Group III Nitrides.

Aurora Costales, Miguel A. Blanco, Angel Martin Pendas, Anil K. Kandalam, Ravindra Pandey

Journal:

Year:

2002

File:

PDF, 23 KB

2002

27

A Classification of Covalent, Ionic, and Metallic Solids Based on the Electron Density.

Paula Mori-Sanchez, A. Martin Pendas, Victor Luana

Journal:

Year:

2003

File:

PDF, 50 KB

2003

28

Chemical fragments in real space: Definitions, properties, and energetic decompositions

A. Martín Pendás, M. A. Blanco, E. Francisco

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 330 KB

english, 2007

29

Steric repulsions, rotation barriers, and stereoelectronic effects: A real space perspective

A. Martín Pendás, M. A. Blanco, E. Francisco

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 255 KB

english, 2009

30

Quantum mechanical cluster calculations of ionic materials: the ab initio perturbed ion (version 7) program

Víctor Luaña, Angel Martín Pendás, JoséManuel Recio, Evelio Francisco, Margarita Bermejo

Journal:

Computer Physics Communications

Year:

1993

Language:

english

File:

PDF, 2.28 MB

english, 1993

31

Atomistic simulation of the pressure-temperature-volume diagram in α-Al2O3

R. Franco, M.A. Blanco, A. Martín Pendás, E. Francisco, J.M. Recio

Journal:

Solid State Communications

Year:

1996

Language:

english

File:

PDF, 428 KB

english, 1996

32

EDF: Computing electron number probability distribution functions in real space from molecular wave functions

E. Francisco, A. Martín Pendás, M.A. Blanco

Journal:

Computer Physics Communications

Year:

2008

Language:

english

File:

PDF, 215 KB

english, 2008

33

Revisiting the variational nature of the quantum theory of atoms in molecules

A. Martín Pendás, M.A. Blanco, E. Francisco

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 160 KB

english, 2006

34

Reply to comments of Bader on the simplified variational derivation for quantum atoms in molecules

A. Martín Pendás, M.A. Blanco, E. Francisco

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 90 KB

english, 2006

35

Spatial localization, correlation, and statistical dependence of electrons in atomic domains: The and states of H2

A. Martín Pendás, E. Francisco, M.A. Blanco

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 178 KB

english, 2007

36

Electron–electron interactions between ELF basins

A. Martín Pendás, E. Francisco, M.A. Blanco

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 345 KB

english, 2008

37

Bond metallicity of materials from real space charge density distributions

S. Jenkins, P.W. Ayers, S.R. Kirk, P. Mori-Sánchez, A. Martín Pendás

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 419 KB

english, 2009

38

Generalized electron number distribution functions: real space versus orbital space descriptions

E. Francisco, A. Martín Pendás, Miguel A. Blanco

Journal:

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

Year:

2011

Language:

english

File:

PDF, 508 KB

english, 2011

39

Critic: a new program for the topological analysis of solid-state electron densities

A. Otero-de-la-Roza, M.A. Blanco, A. Martín Pendás, Víctor Luaña

Journal:

Computer Physics Communications

Year:

2009

Language:

english

File:

PDF, 1.22 MB

english, 2009

40

Useful applications of the electron localization function in high-pressure crystal chemistry

Julia Contreras-García, Ángel Martín Pendás, Bernard Silvi, J. Manuel Recio

Journal:

Journal of Physics and Chemistry of Solids

Year:

2008

Language:

english

File:

PDF, 266 KB

english, 2008

41

Thermodynamical properties of solids from microscopic theory: applications to MgF2 and Al2O3

M.A. Blanco, A.Martín Pendás, E. Francisco, J.M. Recio, R. Franco

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 1.00 MB

english, 1996

42

Theoretical explanation of the uniform compressibility behavior observed in oxide spinels

Recio, J., Franco, R., Martín Pendás, A., Blanco, M., Pueyo, L., Pandey, Ravindra

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 98 KB

english, 2001

43

Ions in Crystals: The Topology of the Electron Density in Ionic Materials. III. Geometry and Ionic Radii

Pendás, A. Martín, Costales, Aurora, Luaña, Víctor

Journal:

Journal of Physical Chemistry B

Year:

1998

Language:

english

File:

PDF, 459 KB

english, 1998

44

Ions in crystals: The topology of the electron density in ionic materials.II. The cubic alkali halide perovskites

Luaña, Víctor, Costales, Aurora, Martín Pendás, A.

Journal:

Physical Review B

Year:

1997

Language:

english

File:

PDF, 1.17 MB

english, 1997

45

A Classification of Covalent, Ionic, and Metallic Solids Based on the Electron Density

Mori-Sánchez, Paula, Pendás, A. Martín, Luaña, Víctor

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 47 KB

english, 2002

46

Ions in crystals: The topology of the electron density in ionic materials. V. The B1-B2 phase transition in alkali halides

Blanco, M., Costales, A., Martín Pendás, A., Luaña, V.

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 350 KB

english, 2000

47

Ions in Crystals: The Topology of the Electron Density in Ionic Materials. 4. The Danburite (CaB2Si2O8) Case and the Occurrence of Oxide−Oxide Bond Paths in Crystals

Luaña, Victor, Costales, Aurora, Mori-Sánchez, Paula, Pendás, A. Martín

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 242 KB

english, 2003

48

Ab initio cluster-in-the-lattice description of vanadium-doped zircon: analysis of the impurity centers in vanadium(4+)-doped zircon (ZrSiO4)

Beltran, A., Bohm, S., Flores-Riveros, A., Igualada, J. A., Monros, G., Andres, J., Luana, V., Pendas, A. Martin

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.57 MB

english, 1993

49

Performance of the Density Matrix Functional Theory in the Quantum Theory of Atoms in Molecules

García-Revilla, Marco, Francisco, E., Costales, A., Martín Pendás, A.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.99 MB

english, 2012

50

Static simulations of Cu+ centers in alkali halides

Luaña, V., Blanco, M. A., Flórez, M., Pendás, A. Martín, Pueyo, L.

Journal:

Radiation Effects and Defects in Solids

Year:

1995

Language:

english

File:

PDF, 233 KB

english, 1995

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