Josée R. Mohallem : rechercher sur Z-Library

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1

Evidences of molecular structure beyond the Born–Oppenheimer approximation: the model hamiltonian

José R. Mohallem

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2004

Langue:

english

Fichier:

PDF, 83 KB

english, 2004

2

Variational calculations for the bound-unbound transition of the Yukawa potential

Gomes, Orlando A., Chacham, Hélio, Mohallem, José R.

Journal:

Physical Review A

Année:

1994

Langue:

english

Fichier:

PDF, 222 KB

english, 1994

3

A variable elimination method to improve the parsimony of MLR models using the successive projections algorithm

Roberto Kawakami Harrop Galvão, Mário César Ugulino Araújo, Wallace Duarte Fragoso, Edvan Cirino Silva, Gledson Emidio José, Sófacles Figueredo Carreiro Soares, Henrique Mohallem Paiva

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2008

Langue:

english

Fichier:

PDF, 1.15 MB

english, 2008

4

Asymptotic relation between Darwin and mass-velocity one-electron molecular relativistic corrections

Diniz, Leonardo G., Mohallem, José R.

Journal:

American Journal of Physics

Année:

2006

Langue:

english

Fichier:

PDF, 287 KB

english, 2006

5

Thin and transparent films of graphene/silver nanoparticles obtained at liquid–liquid interfaces: Preparation, characterization and application as SERS substrates

Mehl, Hiany, Oliveira, Marcela Mohallem, Zarbin, Aldo José Gorgatti

Journal:

Journal of Colloid and Interface Science

Année:

2015

Langue:

english

Fichier:

PDF, 2.57 MB

english, 2015

6

Plasmonic optical fiber sensors: enhanced sensitivity in water-based environments

Heidemann, Bárbara Rutyna, Chiamenti, Ismael, Oliveira, Marcela Mohallem, Muller, Marcia, Fabris, José Luís

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 986 KB

english, 2015

7

Benchmark Linelists and Radiative Cooling Functions for LiH Isotopologues

Diniz, Leonardo G., Alijah, Alexander, Mohallem, José R.

Journal:

The Astrophysical Journal Supplement Series

Année:

2018

Langue:

english

Fichier:

PDF, 478 KB

english, 2018

8

Cross-validation for the selection of spectral variables using the successive projections algorithm

Galvão, Roberto Kawakami Harrop, Araújo, Mário César Ugulino, Silva, Edvan Cirino, José, Gledson Emidio, Soares, Sófacles Figueredo Carreiro, Paiva, Henrique Mohallem

Journal:

Journal of the Brazilian Chemical Society

Année:

2007

Langue:

english

Fichier:

PDF, 337 KB

english, 2007

9

ChemInform Abstract: Interdisciplinary Applications of Pauling′s Metallic Orbital and Unsynchronized Resonance to Problems of Modern Physical Chemistry: Conductivity, Magnetism, Molecular Stability, Superconductivity, Catalysis, Photoconductivity, and Chemical Reactions

Antonio C. Pavao, Carlton A. Taft, Tereza C. F. Guimaraes, Marcelo B. C. Leao, Jose R. Mohallem, William A. Lester Jr.

Journal:

Année:

2001

Fichier:

PDF, 26 KB

2001

10

A new algorithm to handle finite nuclear mass effects in electronic calculations: The ISOTOPE program

Cristina P. Gonçalves, José R. Mohallem

Journal:

Journal of Computational Chemistry

Année:

2004

Langue:

english

Fichier:

PDF, 76 KB

english, 2004

11

Molecular model for annihilation rates in positron complexes

Denise Assafrão, H.R. James Walters, José R. Mohallem

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Année:

2008

Langue:

english

Fichier:

PDF, 285 KB

english, 2008

12

Optimal wavelet filter construction using X and Y data

Roberto Kawakami Harrop Galvão, Gledson Emı́dio José, Heronides Adonias Dantas Filho, Mario Cesar Ugulino Araujo, Edvan Cirino da Silva, Henrique Mohallem Paiva, Teresa Cristina Bezerra Saldanha, Ênio

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2004

Langue:

english

Fichier:

PDF, 650 KB

english, 2004

13

Adiabatic corrections to the energies of 50 typical medium size molecules containing H atoms

José R. Mohallem, Cristina P. Gonçalves, Tathiana Moreira

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 105 KB

english, 2005

14

Separation of motions of atomic cores and valence electrons in molecules

José R. Mohallem, Leonardo G. Diniz, Adriano S. Dutra

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 345 KB

english, 2011

15

Automation of the temperature elevation test in transformers with insulating oil

José Manuel Esteves Vicente, Angelo José Junqueira Rezek, Antonio Tadeu Lyrio de Almeida, Carlos Alberto Mohallem Guimarães

Journal:

ISA Transactions

Année:

2008

Langue:

english

Fichier:

PDF, 1.29 MB

english, 2008

16

Potential energy curves for the interaction of a low-energy positron with matter: The case He+e+

José R. Mohallem, Flavia Rolim

Journal:

Radiation Physics and Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 167 KB

english, 2007

17

Ab initio isotope simulated dynamics in the adiabatic approximation

Cristina P Gonçalves, José R Mohallem

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 95 KB

english, 2000

18

Point group symmetries of the molecular orbitals of HD+ beyond the Born–Oppenheimer approximation

Cristina P Gonçalves, José R Mohallem

Journal:

Chemical Physics Letters

Année:

2003

Langue:

english

Fichier:

PDF, 92 KB

english, 2003

19

Isotopic dipole moments in water clusters

Josée R. Mohallem, Leonardo G. Diniz

Journal:

International Journal of Quantum Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 139 KB

english, 2011

20

Considerations on Gaussian expanded generator coordinate wave functions

José R. Mohallem, Milan Trsic

Journal:

International Journal of Quantum Chemistry

Année:

1988

Langue:

english

Fichier:

PDF, 324 KB

english, 1988

21

Reliable Hellmann–Feynman forces for nuclei-centered GTO basis of standard size

Reinaldo O. Vianna, Rogério Custódio, Hélio Chacham, José Rachid Mohallem

Journal:

International Journal of Quantum Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 360 KB

english, 1992

22

Molecular structure and Bader's theory

José R. Mohallem

Journal:

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

Année:

2002

Langue:

english

Fichier:

PDF, 70 KB

english, 2002

23

Self-consistent-field – Hartree–Fock method with finite nuclear mass corrections

Cristina P. Gonçalves, José R. Mohallem

Journal:

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

Année:

2003

Langue:

english

Fichier:

PDF, 212 KB

english, 2003

24

Gaussian integral transforms of unconventional functions: contracted basis functions appropriate to molecules and metallic clusters

E´rika C. Bastone, Andréa D. Quintão, Reinaldo O. Vianna, José R. Mohallem

Journal:

Zeitschrift für Physik D Atoms, Molecules and Clusters

Année:

1997

Langue:

english

Fichier:

PDF, 218 KB

english, 1997

25

Comment on “On the helium ground-state Hartree—Fock energy”

José R. Mohallem

Journal:

Chemical Physics Letters

Année:

1992

Langue:

english

Fichier:

PDF, 176 KB

english, 1992

26

MO theory of isotope symmetry breaking in HDO and HD

Cristina P. Gonçalves, José R. Mohallem

Journal:

Chemical Physics Letters

Année:

2003

Langue:

english

Fichier:

PDF, 197 KB

english, 2003

27

A further study on the discretisation of the Griffin-Hill-Wheeler equation

José R. Mohallem

Journal:

Zeitschrift für Physik D Atoms, Molecules and Clusters

Année:

1986

Langue:

english

Fichier:

PDF, 570 KB

english, 1986

28

Compact representation of the molecular orbitals of heteronuclear molecules: a test on HeH+

José Rachid Mohallem, Reinaldo O. Vianna

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1993

Langue:

english

Fichier:

PDF, 287 KB

english, 1993

29

The adiabatic approximation to exotic leptonic molecules: further analysis and a nonlinear equation for conditional amplitudes

José R. Mohallem, José G.R. Tostes

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2002

Langue:

english

Fichier:

PDF, 98 KB

english, 2002

30

Molecular dynamics simulations of isotope compounds of hydrogen atoms: prospects and progress

Cristina P. Gonçalves, Flávia Rolim, Vinı́cius C. Mota, José R. Mohallem

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2002

Langue:

english

Fichier:

PDF, 92 KB

english, 2002

31

Positron binding to atoms and apolar molecules: A convergence of theory and experiment

Amaral, Paulo H. R., Mohallem, José R.

Journal:

Physical Review A

Année:

2012

Langue:

english

Fichier:

PDF, 205 KB

english, 2012

32

Structural and Mössbauer investigation on barium titanate–cobalt ferrite composites

Leonel, Liliam V., Silva, Juliana B., Albuquerque, Adriana S., Ardisson, José D., Macedo, Waldemar A.A., Mohallem, Nelcy D.S.

Journal:

Journal of Physics and Chemistry of Solids

Année:

2012

Langue:

english

Fichier:

PDF, 1.52 MB

english, 2012

33

Relaxed geometries and dipole moments of positron complexes with diatomic molecules

Assafrão, Denise, Mohallem, José R

Journal:

Journal of Physics Conference Series

Année:

2010

Langue:

english

Fichier:

PDF, 605 KB

english, 2010

34

Model-potential approach to positron elastic scattering from noble gases

Poveda, Luis A., Dutra, Adriano, Mohallem, José R., Assafrão, Denise

Journal:

Physical Review A

Année:

2013

Langue:

english

Fichier:

PDF, 1.71 MB

english, 2013

35

Semiempirical evaluation of post-Hartree–Fock diagonal-Born–Oppenheimer corrections for organic molecules

Mohallem, José R.

Journal:

The Journal of Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 530 KB

english, 2008

36

Core-mass nonadiabatic corrections to molecules: H[sub 2], H[sub 2][sup +], and isotopologues

Diniz, Leonardo G., Alijah, Alexander, Mohallem, José Rachid

Journal:

The Journal of Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 567 KB

english, 2012

37

[IEEE 2010 Conference on Control and Fault-Tolerant Systems (SysTol) - Nice, France (2010.10.6-2010.10.8)] 2010 Conference on Control and Fault-Tolerant Systems (SysTol) - Fault detection in a laboratory helicopter employing a wavelet-based analytical redundancy approach

Waschburger, Ronaldo, Paiva, Henrique Mohallem, e Silva, Joao Jose Ribeiro, Galvao, Robe

Année:

2010

Langue:

english

Fichier:

PDF, 189 KB

english, 2010

38

using coordinate-dependent vibrational and rotational masses

Diniz, Leonardo G., Mohallem, José Rachid, Alijah, Alexander, Pavanello, Michele, Adamowicz, Ludwik, Polyansky, Oleg L., Tennyson, Jonathan

Journal:

Physical Review A

Année:

2013

Langue:

english

Fichier:

PDF, 577 KB

english, 2013

39

Thin and flexible all-solid supercapacitor prepared from novel single wall carbon nanotubes/polyaniline thin films obtained in liquid–liquid interfaces

de Souza, Victor Hugo Rodrigues, Oliveira, Marcela Mohallem, Zarbin, Aldo José Gorgatti

Journal:

Journal of Power Sources

Année:

2014

Langue:

english

Fichier:

PDF, 2.13 MB

english, 2014

40

Interdisciplinary Applications of Pauling's Metallic Orbital and Unsynchronized Resonance to Problems of Modern Physical Chemistry: Conductivity, Magnetism, Molecular Stability, Superconductivity, Catalysis, Photoconductivity, and Chemical Reactions

Pavão, Antonio C., Taft, Carlton A., Guimarães, Tereza C. F., Leão, Marcelo B. C., Mohallem, José R., Lester, William A.

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 84 KB

english, 2001

41

Adiabatic Corrections to Density Functional Theory Energies and Wave Functions †

Mohallem, José R., de O. Coura, Thiago, Diniz, Leonardo G., de Castro, Gustavo, Assafrão, Denise, Heine, Thomas

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 432 KB

english, 2008

42

to

Mohallem, José Rachid

Journal:

Physical Review A

Année:

1995

Langue:

english

Fichier:

PDF, 181 KB

english, 1995

43

A note on geometry relaxation of molecular positron complexes

Mohallem, José R., Gonçalves, Cristina P.

Journal:

The Journal of Chemical Physics

Année:

2004

Langue:

english

Fichier:

PDF, 248 KB

english, 2004

44

Fast Hartree–Fock calculations by simulated dynamics. II. An efficient, stable, and accurate algorithm for molecules

Vianna, Reinaldo O., Chacham, Hélio, Mohallem, José R.

Journal:

The Journal of Chemical Physics

Année:

1993

Langue:

english

Fichier:

PDF, 709 KB

english, 1993

45

Relaxed electric dipole moments of polar molecules interacting with a slow positron: H 2 O and CH 3 X (X=F, Cl, Br)

Assafrão, Denise, Mohallem, José R

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 286 KB

english, 2010

46

Connecting a new non-adiabatic vibrational mass to the bonding mechanism of LiH: A quantum superposition of ionic and covalent states

Diniz, Leonardo G., Alijah, Alexander, Adamowicz, Ludwik, Mohallem, José R.

Journal:

Chemical Physics Letters

Année:

2015

Langue:

english

Fichier:

PDF, 449 KB

english, 2015

47

[ECS 21st Symposium on Microelectronics Technology and Devices - Ouro Preto - MG - Brazil (August 28-September 1, 2006)] ECS Transactions - Magnetic Nanocomposite Thin Films Prepared by Sol-Gel Process

Seara, Luciana M., Ardisson, José D., Mohallem, Nelcy D.

Année:

2007

Langue:

english

Fichier:

PDF, 675 KB

english, 2007

48

Towards universal potentials for (H[sub 2])[sub 2] and isotopic variants: Post-Born–Oppenheimer contributions

Diniz, Leonardo G., Mohallem, José R.

Journal:

The Journal of Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 172 KB

english, 2008

49

Mass scaling in the molecular approach: direct correlation among vibrational and electronic He energy levels

Mohallem, José R

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Année:

1997

Langue:

english

Fichier:

PDF, 89 KB

english, 1997

50

Accurate dipole moment curve and non-adiabatic effects on the high resolution spectroscopic properties of the LiH molecule

Diniz, Leonardo G., Kirnosov, Nikita, Alijah, Alexander, Mohallem, José R., Adamowicz, Ludwik

Journal:

Journal of Molecular Spectroscopy

Année:

2016

Langue:

english

Fichier:

PDF, 333 KB

english, 2016