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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

Year:

2004

Language:

english

File:

PDF, 83 KB

english, 2004

2

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

Year:

2008

Language:

english

File:

PDF, 1.15 MB

english, 2008

3

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

Diniz, Leonardo G., Mohallem, José R.

Journal:

American Journal of Physics

Year:

2006

Language:

english

File:

PDF, 287 KB

english, 2006

4

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

Year:

2015

Language:

english

File:

PDF, 2.57 MB

english, 2015

5

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

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

Journal:

Year:

2015

Language:

english

File:

PDF, 986 KB

english, 2015

6

Benchmark Linelists and Radiative Cooling Functions for LiH Isotopologues

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

Journal:

The Astrophysical Journal Supplement Series

Year:

2018

Language:

english

File:

PDF, 478 KB

english, 2018

7

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

Year:

2007

Language:

english

File:

PDF, 337 KB

english, 2007

8

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:

Year:

2001

File:

PDF, 26 KB

2001

9

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

Year:

2004

Language:

english

File:

PDF, 76 KB

english, 2004

10

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

Year:

2008

Language:

english

File:

PDF, 285 KB

english, 2008

11

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

Year:

2004

Language:

english

File:

PDF, 650 KB

english, 2004

12

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

Year:

2005

Language:

english

File:

PDF, 105 KB

english, 2005

13

Separation of motions of atomic cores and valence electrons in molecules

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

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 345 KB

english, 2011

14

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

Year:

2008

Language:

english

File:

PDF, 1.29 MB

english, 2008

15

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

Year:

2007

Language:

english

File:

PDF, 167 KB

english, 2007

16

Ab initio isotope simulated dynamics in the adiabatic approximation

Cristina P Gonçalves, José R Mohallem

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 95 KB

english, 2000

17

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

Cristina P Gonçalves, José R Mohallem

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 92 KB

english, 2003

18

Isotopic dipole moments in water clusters

Josée R. Mohallem, Leonardo G. Diniz

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 139 KB

english, 2011

19

Considerations on Gaussian expanded generator coordinate wave functions

José R. Mohallem, Milan Trsic

Journal:

International Journal of Quantum Chemistry

Year:

1988

Language:

english

File:

PDF, 324 KB

english, 1988

20

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

Year:

1992

Language:

english

File:

PDF, 360 KB

english, 1992

21

Molecular structure and Bader's theory

José R. Mohallem

Journal:

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

Year:

2002

Language:

english

File:

PDF, 70 KB

english, 2002

22

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)

Year:

2003

Language:

english

File:

PDF, 212 KB

english, 2003

23

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

Year:

1997

Language:

english

File:

PDF, 218 KB

english, 1997

24

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

José R. Mohallem

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 176 KB

english, 1992

25

MO theory of isotope symmetry breaking in HDO and HD

Cristina P. Gonçalves, José R. Mohallem

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 197 KB

english, 2003

26

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

José R. Mohallem

Journal:

Zeitschrift für Physik D Atoms, Molecules and Clusters

Year:

1986

Language:

english

File:

PDF, 570 KB

english, 1986

27

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

Year:

1993

Language:

english

File:

PDF, 287 KB

english, 1993

28

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

Year:

2002

Language:

english

File:

PDF, 98 KB

english, 2002

29

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

Year:

2002

Language:

english

File:

PDF, 92 KB

english, 2002

30

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

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

Journal:

Physical Review A

Year:

2012

Language:

english

File:

PDF, 205 KB

english, 2012

31

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

Year:

2012

Language:

english

File:

PDF, 1.52 MB

english, 2012

32

Relaxed geometries and dipole moments of positron complexes with diatomic molecules

Assafrão, Denise, Mohallem, José R

Journal:

Journal of Physics Conference Series

Year:

2010

Language:

english

File:

PDF, 605 KB

english, 2010

33

Model-potential approach to positron elastic scattering from noble gases

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

Journal:

Physical Review A

Year:

2013

Language:

english

File:

PDF, 1.71 MB

english, 2013

34

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

Mohallem, José R.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 530 KB

english, 2008

35

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

Year:

2012

Language:

english

File:

PDF, 567 KB

english, 2012

36

[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

Year:

2010

Language:

english

File:

PDF, 189 KB

english, 2010

37

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

Year:

2013

Language:

english

File:

PDF, 577 KB

english, 2013

38

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

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

Journal:

Physical Review A

Year:

1994

Language:

english

File:

PDF, 222 KB

english, 1994

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

Year:

2014

Language:

english

File:

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

Year:

2001

Language:

english

File:

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

Year:

2008

Language:

english

File:

PDF, 432 KB

english, 2008

42

to

Mohallem, José Rachid

Journal:

Physical Review A

Year:

1995

Language:

english

File:

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

Year:

2004

Language:

english

File:

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

Year:

1993

Language:

english

File:

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

Year:

2010

Language:

english

File:

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

Year:

2015

Language:

english

File:

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.

Year:

2007

Language:

english

File:

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

Year:

2008

Language:

english

File:

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

Year:

1997

Language:

english

File:

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

Year:

2016

Language:

english

File:

PDF, 333 KB

english, 2016

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