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51

Binding Energies of First Row Diatomics in the Light of the Interacting Quantum Atoms Approach

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

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 78 KB

english, 2006

52

Electron number distribution functions with iterative Hirshfeld atoms

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

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 355 KB

english, 2011

53

Quantum-Mechanical Study of Thermodynamic and Bonding Properties of MgF 2

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

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 139 KB

english, 1998

54

Non-nuclear Maxima of the Electron Density

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

Journal:

Physical Review Letters

Year:

1999

Language:

english

File:

PDF, 70 KB

english, 1999

55

ChemInform Abstract: Bonding Between Strongly Repulsive Metal Atoms: An Oxymoron Made Real in a Confined Space of Endohedral Metallofullerenes

Popov, Alexey A., Avdoshenko, Stas M., Pendas, Angel Martin, Dunsch, Lothar

Journal:

Year:

2012

File:

PDF, 19 KB

2012

56

A hierarchy of chemical bonding indices in real space from reduced density matrices and cumulants

E. Francisco, A. Martín Pendás, M. García-Revilla, R. Álvarez Boto

Journal:

Computational and Theoretical Chemistry

Year:

2013

Language:

english

File:

PDF, 262 KB

english, 2013

57

Correction to “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, 134 KB

english, 2012

58

Domain-Averaged Exchange-Correlation Energies as a Physical Underpinning for Chemical Graphs

García-Revilla, M., Francisco, E., Popelier, Paul L. A., Martín Pendás, Angel

Journal:

Year:

2013

Language:

english

File:

PDF, 432 KB

english, 2013

59

Chemical Interactions and Spin Structure in (O 2 ) 4 : Implications for the ε-O 2 Phase

García-Revilla, M. A., Francisco, E., Martín Pendás, A., Recio, J. M., Bartolomei, M., Hernández, M. I., Campos-Martínez, J., Carmona-Novillo, E., Hernández-Lamoneda, R.

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 1.54 MB

english, 2013

60

Ab initio pair potentials from quantum-mechanical atoms-in-crystals calculations

Recio, J M, Francisco, E, Florez, M, Pendas, A Martin

Journal:

Journal of Physics Condensed Matter

Year:

1993

Language:

english

File:

PDF, 594 KB

english, 1993

61

Local Relaxation Effects in the Crystal Structure of Vanadium-Doped Zircon. An ab Initio Perturbed Ion Calculation

Beltran, A., Flores-Riveros, A., Andres, J., Luana, V., Martin-Pendas, A.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 399 KB

english, 1994

62

Quantum-mechanical analysis of the equation of state of anatase

Calatayud, M., Mori-Sánchez, P., Beltrán, A., Martín Pendás, A., Francisco, E., Andrés, J., Recio, J. M.

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 312 KB

english, 2001

63

Bonding and compressibility in molecular and polymeric phases of solid CO 2

Gracia, L, Marqués, M, Beltrán, A, Pendás, A Martín, Recio, J M

Journal:

Journal of Physics Condensed Matter

Year:

2004

Language:

english

File:

PDF, 154 KB

english, 2004

64

Restoring orbital thinking from real space descriptions: bonding in classical and non-classical transition metal carbonyls

Tiana, Davide, Francisco, E., Blanco, M. A., Macchi, P., Sironi, Angelo, Pendás, A. Martín

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.72 MB

english, 2011

65

Perspectives for quantum chemical topology in crystallography

Martín Pendás, A, Francisco, E, Costales, A

Journal:

Physica Scripta

Year:

2013

Language:

english

File:

PDF, 817 KB

english, 2013

66

Hydrogen-Bond Cooperative Effects in Small Cyclic Water Clusters as Revealed by the Interacting Quantum Atoms Approach

Guevara-Vela, José Manuel, Chávez-Calvillo, Rodrigo, García-Revilla, Marco, Hernández-Trujillo, Jesús, Christiansen, Ove, Francisco, Evelio, Martín Pendás, Ángel, Rocha-Rinza, Tomás

Journal:

Chemistry - A European Journal

Year:

2013

Language:

english

File:

PDF, 603 KB

english, 2013

67

BCL6 : somatic mutations and expression in early-stage chronic lymphocytic leukemia

Jantus Lewintre, Eloisa, Reinoso Martín, Cristina, García Ballesteros, Carlos, Pendas, Jehzabel, Benet Campos, Carmen, Mayans Ferrer, José Ramón, García-Conde, Javier

Journal:

Leukemia and Lymphoma

Year:

2009

Language:

english

File:

PDF, 386 KB

english, 2009

68

STAG3 is a strong candidate gene for male infertility

Llano, E., Gomez-H, L., Garcia-Tunon, I., Sanchez-Martin, M., Caburet, S., Barbero, J. L., Schimenti, J. C., Veitia, R. A., Pendas, A. M.

Journal:

Human Molecular Genetics

Year:

2014

Language:

english

File:

PDF, 1.70 MB

english, 2014

69

Electron number distribution functions from molecular wavefunctions. Version 2

Francisco, E., Martín Pendás, A.

Journal:

Computer Physics Communications

Year:

2014

Language:

english

File:

PDF, 495 KB

english, 2014

70

On the interpretation of domain averaged Fermi hole analyses of correlated wavefunctions

Francisco, E., Martín Pendás, A., Costales, Aurora

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.54 MB

english, 2014

71

Local compressibilities in crystals

Martín Pendás, A., Costales, Aurora, Blanco, M. A., Recio, J. M., Luaña, Víctor

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 457 KB

english, 2000

72

On the stability of some analytically solvable maximum probability domains

M. Menéndez, A. Martín Pendás

Journal:

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

Year:

2014

Language:

english

File:

PDF, 934 KB

english, 2014

73

Chemical Bonding in Group III Nitrides

Costales, Aurora, Blanco, Miguel A., Martín Pendás, Ángel, Kandalam, Anil K., Pandey, Ravindra

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 122 KB

english, 2002

74

Rigorous characterization of oxygen vacancies in ionic oxides

Mori-Sánchez, P., Recio, J. M., Silvi, Bernard, Sousa, C., Martín Pendás, A., Luaña, Víctor, Illas, F.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 290 KB

english, 2002

75

Structure and Bonding in Magnesium Difluoride Clusters: The MgF 2 Molecule

Francisco, E., Costales, A., Martín Pendás, A.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 122 KB

english, 2001

76

Topological Analysis of Chemical Bonding in Cyclophosphazenes

Luaña, Victor, Pendás, A. Martin, Costales, Aurora, Carriedo, Gabino A., García-Alonso, Francisco J.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 242 KB

english, 2001

77

Understanding the bifurcated halogen bonding N⋯Hal⋯N in bidentate diazaheterocyclic compounds

Bartashevich, Ekaterina, Troitskaya, Elena, Pendás, Ángel Martín, Tsirelson, Vladimir

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 585 KB

english, 2015

78

Dynamical correlation within the Interacting Quantum Atoms method through coupled cluster theory

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

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 357 KB

english, 2015

79

A view of covalent and ionic bonding from Maximum Probability Domains

Menéndez, M., Martín Pendás, A., Braïda, B., Savin, A.

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 531 KB

english, 2015

80

An anatomy of intramolecular atomic interactions in halogen-substituted trinitromethanes

Bartashevich, Ekaterina V., Pendás, Ángel Martín, Tsirelson, Vladimir G.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.82 MB

english, 2014

81

Comparison of Direct and Flow Integration Based Charge Density Population Analyses

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

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 78 KB

english, 2007

82

First Principles Study of Polyatomic Clusters of AlN, GaN, and InN. 2. Chemical Bonding

Costales, Aurora, Kandalam, Anil K., Martín Pendás, A., Blanco, M. A., Recio, J. M., Pandey, Ravindra

Journal:

Journal of Physical Chemistry B

Year:

2000

Language:

english

File:

PDF, 143 KB

english, 2000

83

Structure and Bonding in Magnesium Difluoride Clusters: The (MgF 2 ) n ( n = 2−3) Clusters

Francisco, E., Pendás, A. Martín, Costales, A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 109 KB

english, 2002

84

Evolution of the Properties of Al n N n Clusters with Size

Costales, Aurora, Blanco, M. A., Francisco, E., Pandey, Ravindra, Martín Pendás, A.

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 355 KB

english, 2005

85

First Principles Study of Neutral and Anionic (Medium-Size) Aluminum Nitride Clusters: Al n N n , n = 7−16

Costales, Aurora, Blanco, M. A., Francisco, E., Pendás, A. Martín, Pandey, Ravindra

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 231 KB

english, 2006

86

Microscopic Study of the Rock Salt-Caesium Chloride Phase Stability in Alkali Halides

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

Journal:

High Pressure Research

Year:

2002

Language:

english

File:

PDF, 83 KB

english, 2002

87

Electronic structure and electronic excitations of solid neon from an ab initio atom-in-the-lattice approach

Martin Pendas, A., Francisco, E., Luana, V., Pueyo, L.

Journal:

Journal of Physical Chemistry

Year:

1992

Language:

english

File:

PDF, 876 KB

english, 1992

88

Theoretical study of the coordination of the Cr 3+ ion in α-Al 2 O 3

Franco, R., Recio, J. M., Pendas, A. Martín, Francisco, E., Luaña, V., Pueyo, L.

Journal:

Radiation Effects and Defects in Solids

Year:

1995

Language:

english

File:

PDF, 197 KB

english, 1995

89

Strategies for determining and using ab initio interionic potentials

Blanco, Miguel A., Recio, J. M., Francisco, E., Costales, A., Luaña, V., Pendás, A. Martín

Journal:

Radiation Effects and Defects in Solids

Year:

1999

Language:

english

File:

PDF, 261 KB

english, 1999

90

Polarity inversion in the electron density of BP crystal

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

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 115 KB

english, 2001

91

Prevalence of black stain and associated risk factors in preschool Spanish children

Garcia Martin, Jose Manuel, Gonzalez Garcia, Manuel, Seoane Leston, Juan, Llorente Pendas, Santiago, Diaz Martin, Juan Jose, Garcia-Pola, Maria Jose

Journal:

Pediatrics International

Year:

2013

Language:

english

File:

PDF, 97 KB

english, 2013

92

Universal-binding-energy relations across the rock-salt–cesium chloride phase transition in alkali halides

Pendás, A. Martín, Recio, J. M., Francisco, E., Luaña, V.

Journal:

Physical Review B

Year:

1997

Language:

english

File:

PDF, 123 KB

english, 1997

93

Energetics of the RbF + CaF 2 → RbCaF 3 solid state reaction: A first-principles study

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

Journal:

Radiation Effects and Defects in Solids

Year:

1995

Language:

english

File:

PDF, 189 KB

english, 1995

94

Practical embedding for ionic materials: Crystal-adapted pseudopotentials for the MgO crystal

Luaña, Víctor, Recio, J. M., Pendás, A. Martín, Blanco, M. A., Pueyo, L., Pandey, Ravindra

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 287 KB

english, 2001

95

Stability of B1 and B2 phases from electronic density topology considerations

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

Journal:

Radiation Effects and Defects in Solids

Year:

1995

Language:

english

File:

PDF, 240 KB

english, 1995

96

Preface to the Special Issue on “Understanding structure and reactivity from topology and beyond”

Pendás, Ángel Martín, Contreras-García, Julia

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 188 KB

english, 2015

97

Effects of a quantum crystal potential on the derivation of electron gas interionic energies

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

Journal:

Radiation Effects and Defects in Solids

Year:

1995

Language:

english

File:

PDF, 207 KB

english, 1995

98

An Interacting Quantum Atoms Analysis of the Metal–Metal Bond in [M 2 (CO) 8 ] n Systems

Tiana, Davide, Francisco, E., Macchi, P., Sironi, Angelo, Martín Pendás, A.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 689 KB

english, 2015

99

Ionic properties of perovskites derived from topological analysis of their wave function

Luaña, Víctor, Costales, Aurora, Pendás, A Martín, Pueyo, L

Journal:

Journal of Physics Condensed Matter

Year:

1999

Language:

english

File:

PDF, 576 KB

english, 1999

100

Shugoshin-2 is essential for the completion of meiosis but not for mitotic cell division in mice

Llano, E., Gomez, R., Gutierrez-Caballero, C., Herran, Y., Sanchez-Martin, M., Vazquez-Quinones, L., Hernandez, T., de Alava, E., Cuadrado, A., Barbero, J. L., Suja, J. A., Pendas, A. M.

Journal:

Genes & Development

Year:

2008

Language:

english

File:

PDF, 998 KB

english, 2008

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