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1

A reduced-restricted-quasi-Newton-Raphson method for locating and optimizing energy crossing points between two potential energy surfaces

Anglada, Josep Maria, Bofill, Josep Maria

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 193 KB

english, 1997

2

The Ozonolysis of Ethylene: A Theoretical Study of the Gas-Phase Reaction Mechanism

Josep M. Anglada, Ramon Crehuet, Josep Maria Bofill

Journal:

Chemistry - A European Journal

Year:

1999

Language:

english

File:

PDF, 296 KB

english, 1999

3

How good is a Broyden–Fletcher–Goldfarb–Shanno-like update Hessian formula to locate transition structures? Specific reformulation of Broyden–Fletcher–Goldfarb–Shanno for optimizing saddle points

Josep Maria Anglada, Josep Maria Bofill

Journal:

Journal of Computational Chemistry

Year:

1998

Language:

english

File:

PDF, 204 KB

english, 1998

4

Prediction of approximate transition states by Bell-Evans-Polanyi principle: II. Gas phase unimolecular decomposition of methyldioxirane

Anglada, Josep Maria, Besal�, Emili, Bofill, Josep Maria, Crehuet, Ramon

Journal:

Journal of Computational Chemistry

Year:

1999

Language:

english

File:

PDF, 173 KB

english, 1999

5

Prediction of approximate transition states by Bell-Evans-Polanyi principle: I

Anglada, Josep Maria, Besal�, Emili, Bofill, Josep Maria, Crehuet, Ramon

Journal:

Journal of Computational Chemistry

Year:

1999

Language:

english

File:

PDF, 925 KB

english, 1999

6

On the restricted step method coupled with the augmented Hessian for the search of stationary points of any continuous function

Josep Maria Anglada, Josep Maria Bofill

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 215 KB

english, 1997

7

Accurate and efficient determination of higher roots in diagonalization of large matrices based in function restricted optimization algorithms

Josep Maria Bofill, Ibério de Pinho Ribeiro Moreira, Josep Maria Anglada, Francesc Illas

Journal:

Journal of Computational Chemistry

Year:

2000

Language:

english

File:

PDF, 219 KB

english, 2000

8

On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states

Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet

Journal:

Journal of Computational Chemistry

Year:

2001

Language:

english

File:

PDF, 334 KB

english, 2001

9

On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states

Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Ramon Crehuet

Journal:

Journal of Computational Chemistry

Year:

2001

File:

PDF, 78 KB

2001

10

On the structure of polypyrrole: Polypyrroles with dipyrrin-1(10H)-one end groups

Josep M Ribó, Amadou Dicko, Maria Asunción Vallès, Josep Claret, Paul Dallemer, Nuria Ferrer-Anglada, Raymond Bonnett, David Bloor

Journal:

Year:

1993

Language:

english

File:

PDF, 664 KB

english, 1993

11

Large-scale matrix diagonalization methods by direct optimization of Taylor expansion of Rayleigh–Ritz quotient up to third order

Josep Maria Bofill, Ibério de Pinho Ribeiro Moreira, Josep Maria Anglada, Francesc Illas

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 115 KB

english, 2000

12

A symmetric orthogonal transformation applied to molecular geometry optimizations constrained on a hypersphere

Josep Maria Anglada, Josep Maria Bofill

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 391 KB

english, 1997

13

One-electron redox processes of the CuII chelate of 3,8,12,17-tetraethyl-2,7,13,18-tetramethylbilin-1,19-dione

Maria Carme Anglada, Joan-Anton Farrera, Josep M. Ribó

Journal:

Tetrahedron Letters

Year:

1997

Language:

english

File:

PDF, 248 KB

english, 1997

14

The search for stationary points on a quantum mechanical/molecular mechanical potential-energy surface

Xavier Prat-Resina, Mireia Garcia-Viloca, Gerald Monard, Angels González-Lafont, José M. Lluch, Josep Maria Bofill, Josep Maria Anglada

Journal:

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

Year:

2002

Language:

english

File:

PDF, 170 KB

english, 2002

15

A new look at the reduced-gradient-following path

Ramon Crehuet, Josep Maria Bofill, Josep Maria Anglada

Journal:

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

Year:

2002

Language:

english

File:

PDF, 205 KB

english, 2002

16

A Bohmian total potential view to quantum effects. II: decay of temporarily trapped states

María F. González, Antoni Aguilar-Mogas, Javier González, Ramon Crehuet, Josep M. Anglada, Josep Maria Bofill, Xavier Giménez

Journal:

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

Year:

2009

Language:

english

File:

PDF, 444 KB

english, 2009

17

The 65th birthday of Professor Santiago Olivella Nello

Josep M. Anglada, Josep Maria Bofill, José M. Lluch

Journal:

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

Year:

2009

Language:

english

File:

PDF, 109 KB

english, 2009

18

Finding transition states using reduced potential-energy surfaces

Josep Maria Bofill, Josep Maria Anglada

Journal:

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

Year:

2001

Language:

english

File:

PDF, 220 KB

english, 2001

19

Remarks on large-scale matrix diagonalization using a Lagrange–Newton–Raphson minimization in a subspace

Josep Maria Anglada, Emili Besalú, Josep Maria Bofill

Journal:

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

Year:

1999

Language:

english

File:

PDF, 88 KB

english, 1999

20

Another way to implement the Powell formula for updating Hessian matrices related to transition structures

Josep Maria Anglada, Emili Besalú, Josep Maria Bofill, Jaime Rubio

Journal:

Journal of Mathematical Chemistry

Year:

1999

Language:

english

File:

PDF, 81 KB

english, 1999

21

Some trends in sorption processes on thin phthalocyanine films

Georgi L. Pakhomov, Valeri N. Spector, Maria C. Anglada, Josep M. Ribo, Carlos Muller

Journal:

Mendeleev Communications

Year:

1996

Language:

english

File:

PDF, 200 KB

english, 1996

22

Ion release from dental casting alloys as assessed by a continuous flow system: Nutritional and toxicological implications

José F. López-Alías, Jordi Martinez-Gomis, Josep M. Anglada, Maria Peraire

Journal:

Dental Materials

Year:

2006

Language:

english

File:

PDF, 185 KB

english, 2006

23

Comparison of polypyrrole, poly(3,4-dimethylpyrrole) and poly(3-methoxy-4-methylpyrrole)

Josep M. Ribó, Maria Carme Anglada, Josep M. Tura, Núria Ferrer-Anglada

Journal:

Synthetic Metals

Year:

1995

Language:

english

File:

PDF, 341 KB

english, 1995

24

Fluctuation-assisted transport in polymers

Maria C. Anglada, Nuria Ferrer-Anglada, Josep M. Ribo, B. Movaghar

Journal:

Synthetic Metals

Year:

1996

Language:

english

File:

PDF, 988 KB

english, 1996

25

High field conductivity in polypyrrole

Josep M. Ribó, Maria C. Anglada, Joan M. Hernandez, Xixiang Zhang, Núria Ferrer-Anglada, Aziz Chaibi, Bijan Movaghar

Journal:

Synthetic Metals

Year:

1998

Language:

english

File:

PDF, 900 KB

english, 1998

26

A geometry optimization benchmark using highly correlated wavefunctions (FCI and MRD-CI)

Josep Maria Anglada, Josep Maria Bofill

Journal:

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

Year:

1995

Language:

english

File:

PDF, 812 KB

english, 1995

27

Polypyrrole from β-substituted pyrrole monomers

Casas, Raquel, Dicko, Amadou, Ribo, Josep M., Valles, Maria Asuncion, Ferrer-Anglada, Nuria, Bonnett, Raymond, Hanly, Noreen, Bloor, David

Journal:

Synthetic Metals

Year:

1990

Language:

english

File:

PDF, 293 KB

english, 1990

28

Interaction between oxidized polypyrroles and dissolved dioxygen

Anglada, Maria Carme, Claret, Josep, Ribó, Josep M.

Journal:

Synthetic Metals

Year:

1993

Language:

english

File:

PDF, 575 KB

english, 1993

29

Electronic Structure and Unimolecular Reactions of Cyclopropenone Carbonyl Oxide. A Theoretical Study †

Anglada, Josep Maria, Bofill, Josep Maria

Journal:

Journal of Organic Chemistry

Year:

1997

Language:

english

File:

PDF, 185 KB

english, 1997

30

Ab initio [sup 1]A[sup ʹ] ground potential energy surface and transition state theory kinetics study of the O([sup 1]D)+N[sub 2]O→2NO, N[sub 2]+O[sub 2](a [sup 1]Δ[sub g]) reactions

González, Miguel, Valero, Rosendo, Anglada, Josep Maria, Sayós, R.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 676 KB

english, 2001

31

INTERFEROMETRIC OBSERVATIONS OF NITROGEN-BEARING MOLECULAR SPECIES IN THE STAR-FORMING CORE AHEAD OF HH 80N

Masqué, Josep M., Girart, Josep M., Anglada, Guillem, Osorio, Mayra, Estalella, Robert, Beltrán, Maria T.

Journal:

The Astrophysical Journal

Year:

2013

Language:

english

File:

PDF, 863 KB

english, 2013

32

Comparative evaluation of four finishing systems on one ceramic surface.

Mart\'{\i}nez-Gomis, Jordi, Bizar, Josep, Anglada, Josep Maria, Samsó, Jordi, Peraire, Maria

Journal:

The International Journal of Prosthodontics

Year:

2003

Language:

english

File:

PDF, 44 KB

english, 2003

33

Understanding variations in the use of hypofractionated radiotherapy and its specific indications for breast cancer: A mixed-methods study

Prades, Joan, Algara, Manel, Espinàs, Josep A., Farrús, Blanca, Arenas, Meritxell, Reyes, Victoria, García-Reglero, Virginia, Cambra, Maria Josep, Rubio, Esther, Anglada, Lluis, Eraso, Arantxa, Pedro,

Journal:

Radiotherapy and Oncology

Year:

2017

Language:

english

File:

PDF, 742 KB

english, 2017

34

A MULTI-WAVELENGTH STUDY OF THE STAR-FORMING CORE AHEAD OF HH 80N

Masqué, Josep M., Osorio, Mayra, Girart, Josep M., Anglada, Guillem, Garay, Guido, Estalella, Robert, Calvet, Nuria, Beltrán, Maria T.

Journal:

The Astrophysical Journal

Year:

2011

Language:

english

File:

PDF, 812 KB

english, 2011

35

7,8 Dihydroxyflavone ameliorates cognitive and motor deficits in a Huntington’s disease mouse model through specific activation of the PLCγ1 pathway

García-Díaz Barriga, Gerardo, Giralt, Albert, Anglada-Huguet, Marta, Gaja-Capdevila, Nuria, Orlandi, Javier G., Soriano, Jordi, Canals, Josep-Maria, Alberch, Jordi

Journal:

Human Molecular Genetics

Year:

2017

Language:

english

File:

PDF, 2.04 MB

english, 2017

36

Study of the Mandibular Movements During Swallowing

Nogueras, Joaquin, Salsench, Joan, Torrent, Josep, Samsó, Jordi, Peraire, Maria, Anglada, José Ma.

Journal:

Year:

1991

Language:

english

File:

PDF, 1.09 MB

english, 1991

37

Comparison of the marginal fit of milled yttrium stabilized zirconium dioxide crowns obtained by scanning silicone impressions and by scanning stone replicas

Aranda Yus, Estefanía, Cantarell, Josep Maria Anglada, Miñarro Alonso, Antonio

Journal:

The Journal of Advanced Prosthodontics

Year:

2018

Language:

english

File:

PDF, 1.04 MB

english, 2018

38

Formation of stable biradical triplet state cation versus closed shell singlet state cation by oxidation of adducts of 3,6-dimethoxycarbazole and polychlorotriphenylmethyl radicals.

Anglada, Josep M., Ballesteros, Paola Angelica, Cuadrado, Alba, Gilabert, Alejandra, Fajarí, Lluís, Sires, Ignasi, Brillas, Enric, Almajano, Maria Pilar, Velasco Castrillo, Dolores, Juliá, Luis

Journal:

Physical Chemistry Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.75 MB

english, 2019

39

A unique case of relapse of plasma cell leukemia in the vitreous humor

Franch-Sarto, Mireia, Anglada Escalona, Jose-RamÃ³n, Tuset Beltran, Victoria, Ribera Santasusana, Josep-Maria, FerrÃ Coll, Christelle

Journal:

Leukemia Research

Year:

2020

File:

PDF, 1.12 MB

2020

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