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51

All valence electron wavefunctions and electrostatic molecular potentials under zero differential overlap approximation

Rosa Caballol, Ramón Gallifa, Miguel Martin, Ramón Carbó

Journal:

Chemical Physics Letters

Year:

1974

Language:

english

File:

PDF, 274 KB

english, 1974

52

Ground and first excited states electrostatic molecular potentials of ketene and diazomethane

Rosa Caballol, Ramón Carbó, Miguel Martín

Journal:

Chemical Physics Letters

Year:

1974

Language:

english

File:

PDF, 500 KB

english, 1974

53

Electrostatic molecular potential as a static index in the study of aromatic substitutions

Juan Bertrán, Estanislao Silla, Ramón Carbó, Miguel Martín

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 390 KB

english, 1975

54

Some remarks about a generalized SCF coupling operator open shell theory

Ramón Carbó, Ramón Gallifa, Josep M. Riera

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 741 KB

english, 1975

55

A new look on SCF theory

Ramón Carbó, Ramón Gallifa, Josep M. Riera

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 411 KB

english, 1975

56

A general multiconfiguration paired excitation self-consistent field theory (MC PE SCF)

Ramón Carbó, Juan A. Hernández

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 583 KB

english, 1977

57

Molsimil - 88: Molecular similarity calculations using a CNDO-like approximation

Ramon Carbó, Blanca Calabuig

Journal:

Computer Physics Communications

Year:

1989

Language:

english

File:

PDF, 888 KB

english, 1989

58

Ariadne-88: An ab initio monoconfigurational closed and open shell direct electronic energy calculation using elementary Jacobi rotations

Ramon Carbó, Blanca Calabuig

Journal:

Computer Physics Communications

Year:

1989

Language:

english

File:

PDF, 783 KB

english, 1989

59

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

60

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

61

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

62

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

63

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

64

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

65

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

66

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

67

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

68

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

69

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

70

Modelling Toxicity using Molecular Quantum Similarity Measures

Xavier Gironés, Ramon Carbó-Dorca

Journal:

Molecular Informatics

Year:

2006

Language:

english

File:

PDF, 236 KB

english, 2006

71

Use of promolecular ASA density functions as a general algorithm to obtain starting MO in SCF calculations

Lluís Amat, Ramon Carbó-Dorca

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 132 KB

english, 2002

72

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

Year:

2002

Language:

english

File:

PDF, 217 KB

english, 2002

73

Applications of inward matrix products and matrix wave functions to Hückel MO theory, Slater extended wave functions, spin extended functions, and Hartree method

Ramon Carbó-Dorca

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 129 KB

english, 2003

74

Discussion on the variable Wolfsberg–Helmholtz parameter, a new simplified Löwdin transformation and the characteristic structure of the transformed EHT Hamiltonian matrices

Ramon Carbó-Dorca

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 95 KB

english, 2004

75

Foundation of quantum similarity measures and their relationship to QSPR: Density function structure, approximations, and application examples

Ramon Carbó-Dorca, Xavier Gironés

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 226 KB

english, 2005

76

A new insight on the quantum quantitative structure-properties relationships

Ramon Carbó-Dorca, Sofie Van Damme

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 170 KB

english, 2008

77

Expectation value averages of size consistent hermitian operators and the definition of Fukui functions

Ramon Carbó-Dorca, Ana Gallegos

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 117 KB

english, 2009

78

Generalized Rayleigh–Schrödinger perturbation theory

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 107 KB

english, 1972

79

Eigenspace manipulation in SCF theory

Catalina Arnau, Ramón Carbó, Sigeru Huzinaga

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 194 KB

english, 1972

80

Electrostatic molecular potentials: Mulliken approximation

Ramón Carbó, Miguel Martin

Journal:

International Journal of Quantum Chemistry

Year:

1975

Language:

english

File:

PDF, 535 KB

english, 1975

81

Mathematical basis of approximate MO theories: Origin of mulliken's magic formula

Ramon Carbo, Caterina Arnau

Journal:

International Journal of Quantum Chemistry

Year:

1978

Language:

english

File:

PDF, 132 KB

english, 1978

82

How similar is a molecule to another? An electron density measure of similarity between two molecular structures

Ramon Carbó, Luis Leyda, Mariano Arnau

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 234 KB

english, 1980

83

Average fock operators

Ramon Carbó, Llorençl Domingo, Josep Gregori

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 687 KB

english, 1980

84

LCAO–MO similarity measures and taxonomy

Ramon Carbó, Llorenç Domingo

Journal:

International Journal of Quantum Chemistry

Year:

1987

Language:

english

File:

PDF, 1.09 MB

english, 1987

85

The perturbation theory for non-degenerate states and the extended Hückel method

Journal:

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

Year:

1970

Language:

english

File:

PDF, 228 KB

english, 1970

86

A modified Del Re method

Journal:

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

Year:

1970

Language:

english

File:

PDF, 131 KB

english, 1970

87

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

Year:

1992

Language:

english

File:

PDF, 1.11 MB

english, 1992

88

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

Ramon Carbó-Dorca, Emili Besalú

Journal:

Journal of Mathematical Chemistry

Year:

1996

Language:

english

File:

PDF, 529 KB

english, 1996

89

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

Ramon Carbó-Dorca, Emili Besalú

Journal:

Journal of Mathematical Chemistry

Year:

1996

Language:

english

File:

PDF, 905 KB

english, 1996

90

Nested summation symbols and perturbation theory

Ramon Carbó, Emili Besalú

Journal:

Journal of Mathematical Chemistry

Year:

1993

Language:

english

File:

PDF, 771 KB

english, 1993

91

Generalized Rayleigh-Schrödinger perturbation theory in matrix form

Emili Besalú, Ramon Carbó

Journal:

Journal of Mathematical Chemistry

Year:

1994

Language:

english

File:

PDF, 572 KB

english, 1994

92

Molecular quantum similarity using conceptual DFT descriptors

Patrick Bultinck, Ramon Carbó-Dorca

Journal:

Journal of Chemical Sciences

Year:

2005

Language:

english

File:

PDF, 93 KB

english, 2005

93

Geometric and electronic similarities between transition structures for electrocyclizations and sigmatropic hydrogen shifts

Robert Ponec, Patrick Bultinck, Sofie Van Damme, Ramon Carbó-Dorca, Dean J. Tantillo

Journal:

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

Year:

2005

Language:

english

File:

PDF, 219 KB

english, 2005

94

Solutions to the Quantum QSPR problem in molecular spaces

Ramon Carbó-Dorca, Sofie Van Damme

Journal:

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

Year:

2007

Language:

english

File:

PDF, 146 KB

english, 2007

95

Open randomized clinical trial of laparoscopic versus open incisional hernia repair

Francisco Asencio, Javier Aguiló, Salvador Peiró, Juan Carbó, Ramón Ferri, Federico Caro, Marwan Ahmad

Journal:

Surgical Endoscopy

Year:

2009

Language:

english

File:

PDF, 243 KB

english, 2009

96

Deduction of Heisenberg relations and Schrödinger equation through the structure ofN

Ramon Carbó-Dorca

Journal:

Journal of Mathematical Chemistry

Year:

2005

Language:

english

File:

PDF, 111 KB

english, 2005

97

A Discussion on the Einstein–Podolski–Rosen (EPR) Effect*in a Unique Wavefunction Quantum Mechanical Framework

Ramon Carbó-Dorca

Journal:

Journal of Mathematical Chemistry

Year:

2006

Language:

english

File:

PDF, 102 KB

english, 2006

98

Molecular Nuclear Fields: A Naïve Perspective

Ramon Carbó-Dorca

Journal:

Journal of Mathematical Chemistry

Year:

2005

Language:

english

File:

PDF, 69 KB

english, 2005

99

Descriptors and Probability Distributions in MO Theory: Weighted Mulliken Matrices and Molecular Quantum Similarity Measures

Ramon Carbó-Dorca

Journal:

Journal of Mathematical Chemistry

Year:

2006

Language:

english

File:

PDF, 245 KB

english, 2006

100

Generation of Molecular Fields, Quantum Similarity Measures and Related Questions

Ramon Carbó-Dorca, Emili Besalú

Journal:

Journal of Mathematical Chemistry

Year:

2006

Language:

english

File:

PDF, 122 KB

english, 2006