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1

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

2

A metaheuristic approach to the optimal definition of molecule-fixed axes in rovibrational Hamiltonians

M.E. Castro, A. Niño, C. Muñoz-Caro

Journal:

Computer Physics Communications

Year:

2010

Language:

english

File:

PDF, 586 KB

english, 2010

3

A uniform object-oriented solution to the eigenvalue problem for real symmetric and Hermitian matrices

María Eugenia Castro, Javier Díaz, Camelia Muñoz-Caro, Alfonso Niño

Journal:

Computer Physics Communications

Year:

2011

Language:

english

File:

PDF, 240 KB

english, 2011

4

[IEEE 2019 28th International Conference on Computer Communication and Networks (ICCCN) - Valencia, Spain (2019.7.29-2019.8.1)] 2019 28th International Conference on Computer Communication and Networks (ICCCN) - A General Approach to Fuzzy Community Detection in Social Networks

Nino, Alfonso, Reyes, Sebastian, Martin-Baos, Jose Angel, Munoz-Caro, Camelia

Year:

2019

Language:

english

File:

PDF, 257 KB

english, 2019

5

Theoretical and Experimental Study of the Acetohydroxamic Acid Protonation: The Solvent Effect

Begoña García, Saturnino Ibeas, José María Leal, María Luisa Senent, Alfonso Niño, Camelia Muñoz-Caro

Journal:

Chemistry - A European Journal

Year:

2000

Language:

english

File:

PDF, 295 KB

english, 2000

6

Synthesis of Polycyclic Aromatic Hydrocarbons and Acetylene Polymers in Ice: A Prebiotic Scenario

César Menor-Salván, Marta Ruiz-Bermejo, Susana Osuna-Esteban, Guillermo Muñoz-Caro, Sabino Veintemillas-Verdaguer

Journal:

Chemistry & Biodiversity

Year:

2008

Language:

english

File:

PDF, 417 KB

english, 2008

7

Performance of computationally intensive parameter sweep applications on Internet-based Grids of computers: the mapping of molecular potential energy hypersurfaces

S. Reyes, C. Muñoz-Caro, A. Niño, R. M. Badia, J. M. Cela

Journal:

Concurrency and Computation: Practice and Experience

Year:

2007

Language:

english

File:

PDF, 678 KB

english, 2007

8

Theoretical Analysis of Pyridine Protonation in Water Clusters of Increasing Size

M. Carmen Sicilia, Camelia Muñoz-Caro, Alfonso Niño

Journal:

Year:

2005

Language:

english

File:

PDF, 254 KB

english, 2005

9

Quantum mechanical study and nuclear magnetic resonance measurements of some α-arylcarboxyalkyl acids as anti-inflammatory agents

Yves G. Smeyers, A. Hernandez-Laguna, C. Munoz-Caro, J. Aguilera, E. Galvez-Ruano, M. S. Arias-Perez

Journal:

Journal of Pharmaceutical Sciences

Year:

1989

Language:

english

File:

PDF, 393 KB

english, 1989

10

The Torsion–Inversion Energy Levels in theS1(n, π*) Electronic State of Acetaldehyde from High-Resolution Jet-Cooled Fluorescence Excitation Spectroscopy

H. Liu, E.C. Lim, C. Muñoz-Caro, A. Niño, R.H. Judge, D.C. Moule

Journal:

Journal of Molecular Spectroscopy

Year:

1996

Language:

english

File:

PDF, 601 KB

english, 1996

11

The Torsion–Inversion–Bending Energy Levels in theS1(n, π*) Electronic State of Acetaldehyde: A High-Resolution Study of the Bands #7 to #20 in the Jet-Cooled Fluorescence Excitation Spectrum

Haisheng Liu, Edward C. Lim, Alfonso Niño, Camelia Muñoz-Caro, Richard H. Judge, David C. Moule

Journal:

Journal of Molecular Spectroscopy

Year:

1998

Language:

english

File:

PDF, 364 KB

english, 1998

12

A study of quadratic + gaussian + cosine functions for the simultaneous description of intramolecular torsion and inversion

A. Niño, C. Muñoz-Caro, D.C. Moule

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 557 KB

english, 1994

13

Computation of kinetic constants for large range internal motions in molecules

A. Niño, C. Muñoz-Caro

Journal:

Computers & Chemistry

Year:

1994

Language:

english

File:

PDF, 517 KB

english, 1994

14

Vibrational energy levels and vibronic structure of electronic spectra in molecules with large amplitude motions

C. Muñoz-Caro, A. Niño

Journal:

Computers & Chemistry

Year:

1994

Language:

english

File:

PDF, 461 KB

english, 1994

15

Recursive computation of Hamiltonian matrix elements using harmonic oscillator eigenfunctions: Application to the inversion of ammonia and to the methyl torsion + aldehydic hydrogen wagging of acetaldehyde

Alfonso Niño, Camelia Muñoz-Caro

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 795 KB

english, 1995

16

Comparative CNDO/2 study of the molecular determinants for H2-receptor agonist activity in histamine and betazole agonist activity in histamine and betazole

Yves G Smeyers, Camelia Muñoz-Caro

Journal:

European Journal of Medicinal Chemistry

Year:

1989

Language:

english

File:

PDF, 249 KB

english, 1989

17

Theoretical determination of the torsion-wagging structure of the S1 ← S0 electronic spectrum of acetaldehyde

Camelia Muñoz-Caro, Alfonso Niño, David C. Moule

Journal:

Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.00 MB

english, 1994

18

Derivation of self-scheduling algorithms for heterogeneous distributed computer systems: Application to internet-based grids of computers

Javier Díaz, Sebastián Reyes, Alfonso Niño, Camelia Muñoz-Caro

Journal:

Future Generation Computer Systems

Year:

2009

Language:

english

File:

PDF, 2.89 MB

english, 2009

19

Monitoring and steering Grid applications with GRID superscalar

S. Reyes, C. Muñoz-Caro, A. Niño, R. Sirvent, R.M. Badia

Journal:

Future Generation Computer Systems

Year:

2010

Language:

english

File:

PDF, 5.14 MB

english, 2010

20

Theoretical prediction of relative and absolute pKa values of aminopyridines

N.A. Caballero, F.J. Melendez, C. Muñoz-Caro, A. Niño

Journal:

Biophysical Chemistry

Year:

2006

Language:

english

File:

PDF, 174 KB

english, 2006

21

Heuristic computation of the rovibrational G matrix in optimized molecule-fixed axes. Gmat 2.1

M.E. Castro, A. Niño, C. Muñoz-Caro

Journal:

Computer Physics Communications

Year:

2010

Language:

english

File:

PDF, 412 KB

english, 2010

22

A general model for the generation and scheduling of parameter sweep experiments in computational grid environments

Javier Díaz, Sebastián Reyes, Rosa M. Badia, Alfonso Niño, Camelia Muñoz-Caro

Journal:

Procedia Computer Science

Year:

2010

Language:

english

File:

PDF, 419 KB

english, 2010

23

Customizing clustering computing for a computational chemistry environment. The case of the DBO-83 nicotinic analgesic

S. Reyes, A. Niño, C. Muñoz-Caro

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 182 KB

english, 2005

24

Conformational population distribution of acetylcholine, nicotine and muscarine in vacuum and solution

C. Muñoz-Caro, A. Niño, M. Mora, S. Reyes, F.J. Melendez, M.E. Castro

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 365 KB

english, 2005

25

Theoretical study of the effect of torsional anharmonicity on the thermodynamic properties of methanol

Camelia Muñoz-Caro, Alfonso Niño, María Luisa Senent

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 427 KB

english, 1997

26

The accurate computation of partition functions in non-rigid molecules

Alfonso Niño, Camelia Muñoz-Caro

Journal:

Computers & Chemistry

Year:

1997

Language:

english

File:

PDF, 948 KB

english, 1997

27

Neural modeling of torsional potential hypersurfaces in non-rigid molecules

Camelia Muñoz-Caro, Alfonso Niño

Journal:

Computers & Chemistry

Year:

1998

Language:

english

File:

PDF, 421 KB

english, 1998

28

Theoretical analysis of the molecular determinants responsible for the K+ channel blocking by aminopyridines

A Niño, C Muñoz-Caro

Journal:

Biophysical Chemistry

Year:

2001

Language:

english

File:

PDF, 712 KB

english, 2001

29

The nature of the receptor site for the reversible K+ channel blocking by aminopyridines

Camelia Muñoz-Caro, Alfonso Niño

Journal:

Biophysical Chemistry

Year:

2002

Language:

english

File:

PDF, 974 KB

english, 2002

30

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

31

Analysis of B3LYP and MP2 conformational population distributions in trans-nicotine, acetylcholine, and ABT-594

M. Mora, M. E. Castro, A. Niño, F. J. Melendez, C. Muñoz-Caro

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 248 KB

english, 2005

32

Analysis of the nitrile and methyl torsional vibrations of n-propyl cyanide in its S0 electronic state

M. E. Castro, C. Muñoz-Caro, A. Niño

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 608 KB

english, 2011

33

Structural and vibrational analysis of the OH torsional motion in difluorohydroxyborane

F. J. Melendez, C. Muñoz-Caro, A. Niño, J. Sandoval-Lira, A. Rangel-Huerta

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 354 KB

english, 2011

34

On the origin of the barriers and the structures of acetaldehyde in its ground and first singlet excited state

C. Muñoz-Caro, A. Niño, D. C. Moule

Journal:

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

Year:

1994

Language:

english

File:

PDF, 776 KB

english, 1994

35

Structural and vibrational theoretical analysis of protonated formaldehyde in its( ilde{X}^{1} A^{prime})ground electronic state

María Eugenia Castro, Alfonso Niño, Camelia Muñoz-Caro

Journal:

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

Year:

2008

Language:

english

File:

PDF, 478 KB

english, 2008

36

Molecular docking study of the binding of aminopyridines within the K+channel

Norma Angélica Caballero, Francisco Javier Meléndez, Alfonso Niño, Camelia Muñoz-Caro

Journal:

Journal of Molecular Modeling

Year:

2007

Language:

english

File:

PDF, 327 KB

english, 2007

37

Cosac, The Cometary Sampling and Composition Experiment on Philae

Fred Goesmann, Helmut Rosenbauer, Reinhard Roll, Cyril Szopa, Francois Raulin, Robert Sternberg, Guy Israel, Uwe Meierhenrich, Wolfram Thiemann, Guillermo Munoz-Caro

Journal:

Space Science Reviews

Year:

2007

Language:

english

File:

PDF, 1.03 MB

english, 2007

38

Definition of a periodic methyl torsional coordinate in the S0 state of acetaldehyde

Camelia Muñoz-Caro, Alfonso Niño, David C. Moule

Journal:

Journal of Molecular Structure

Year:

1995

Language:

english

File:

PDF, 497 KB

english, 1995

39

Gmat. A software tool for the computation of the rovibrational G matrix

M.E. Castro, A. Niño, C. Muñoz-Caro

Journal:

Computer Physics Communications

Year:

2009

Language:

english

File:

PDF, 174 KB

english, 2009

40

Thermodynamic conformational analysis and structural stability of the nicotinic analgesic ABT-594

M. Mora, C. Muñoz-Caro, A. Niño

Journal:

Journal of Computer-Aided Molecular Design

Year:

2003

Language:

english

File:

PDF, 698 KB

english, 2003

41

A structural ab initio study of the T1 triplet state of acetaldehyde. The effects of electron correlation and additional functions in the basis set

Camelia Muñoz-Caro, Alfonso Niñoa, David C. Moule

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 734 KB

english, 1994

42

Suitability of different levels of theory for modelling of hydroxamic acids

A. Niño, C. Muñoz-Caro, M.L. Senent

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2000

Language:

english

File:

PDF, 231 KB

english, 2000

43

Endovascular treatment of a pseudoaneurysm of the descending palatine artery after orthognathic surgery: technical note

A. Fernández-Prieto, P. Garcı́a-Raya, M. Burgueño, J. Muñoz-Caro, R. Frutos

Journal:

International Journal of Oral & Maxillofacial Surgery

Year:

2005

Language:

english

File:

PDF, 165 KB

english, 2005

44

A Survey of Parallel Programming Models and Tools in the Multi and Many-Core Era

Diaz, J., Munoz-Caro, C., Nino, A.

Journal:

IEEE Transactions on Parallel and Distributed Systems

Year:

2012

Language:

english

File:

PDF, 478 KB

english, 2012

45

Effect of Large-Amplitude Vibrations on the Thermodynamics of Malondialdehyde

Niño, Alfonso, Muñoz-Caro, Camelia

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 57 KB

english, 1998

46

Effect of Anharmonicities on the Thermodynamic Properties of the Water Dimer †

Muñoz-Caro, Camelia, Niño, Alfonso

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 205 KB

english, 1997

47

Theoretical Study of the Effect of Hydrogen-Bonding on the Stability and Vibrational Spectrum of Isolated 2,2,2-Trifluoroethanol and Its Molecular Complexes

Senent, M. L., Niño, A., Muñoz-Caro, C., Smeyers, Y. G., Domínguez-Gómez, R., Orza, J. M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 139 KB

english, 2002

48

Effect of the Conformational Kinetic Energy and the Rotovibrational Coupling in the Conformational Population of Bioactive Compounds

Niño, A., Muñoz-Caro, C., Mora, M., Reyes, S.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 120 KB

english, 2003

49

Modeling of Protonation Processes in Acetohydroxamic Acid

Muñoz-Caro, C., Niño, A., Senent, M. L., Leal, J. M., Ibeas, S.

Journal:

Journal of Organic Chemistry

Year:

2000

Language:

english

File:

PDF, 116 KB

english, 2000

50

Mechanism of Pyridine Protonation in Water Clusters of Increasing Size

Sicilia, M. Carmen, Niño, Alfonso, Muñoz-Caro, Camelia

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 428 KB

english, 2005

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