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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

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

3

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

4

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

5

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

6

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

7

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

8

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

9

Preparation of highly dispersed Ru-Sn bimetallic supported catalysts from the single source precursors Cp(PPh3)2Ru-SnX3 (X = Cl or Br)

Silva, Ana Cláudia Bernardes, Sousa, Ana Paula Guimarães de, Ardisson, José Domingos, Siebald, Helmuth Guido Luna, Moura, Edmilson, Santos, Eduardo Nicolau dos, Mohallem, Nelcy Della Santina, Lago, Ro

Journal:

Materials Research

Year:

2003

Language:

english

File:

PDF, 651 KB

english, 2003

10

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

11

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

12

The isotopic dipole moment of HDO

Assafrão, Denise, Mohallem, José R

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2007

Language:

english

File:

PDF, 343 KB

english, 2007

13

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

14

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

15

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

16

Uma alternativa mecânica com emprego de forças magnéticas para a desimpactação dentária

Sobrinho, Sisenando Itabaiana, Mohallem, Nelcy Della Santina, Meira-Belo, Luiz Cláudio, Ardisson, José Domingos, Lana, Sebastiana L. B.

Journal:

Revista Dental Press de Ortodontia e Ortopedia Facial

Year:

2006

File:

PDF, 309 KB

2006

17

Brazilian impact factor of physics journals - the third side of the coin

Mohallem, José R., Fonseca, Norma E. da

Journal:

Anais da Academia Brasileira de Ciências

Year:

2015

File:

PDF, 358 KB

2015

18

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

19

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

20

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

21

Positron elastic scattering from alkaline earth targets

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

Journal:

The European Physical Journal D / Atomic, Molecular, Optical and Plasma Physics

Year:

2016

Language:

english

File:

PDF, 416 KB

english, 2016

22

Core-valence stockholder AIM analysis and its connection to nonadiabatic effects in small molecules

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

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 627 KB

english, 2017

23

Positive effect of resveratrol against preantral follicles degeneration after ovarian tissue vitrification

Rocha, Carina Diniz, Soares, Mayara Mafra, de Cássia Antonino, Deize, Júnior, Jairo Melo, Freitas Mohallem, Renata Ferreira, Ribeiro Rodrigues, Ana Paula, Figueiredo, José Ricardo, Beletti, Marcelo Em

Journal:

Year:

2018

Language:

english

File:

PDF, 17.07 MB

english, 2018

24

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

25

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

26

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

27

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

28

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

29

Case for diagnosis

Yang, Jeane Jeong Hoon, Mohallem, Dalila Filomena, Cardoso, Thaís Abrão, Lima Júnior, Cristiano Luiz Horta de, Tebcherani, Antonio Jose, Vidigal, Maria do Rosário

Journal:

Anais Brasileiros de Dermatologia

Year:

2014

File:

PDF, 124 KB

2014

30

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

31

Functionalized Long Period Grating—Plasmonic Fiber Sensor Applied to the Detection of Glyphosate in Water

Heidemann, Barbara Rutyna, Chiamenti, Ismael, Oliveira, Marcela Mohallem, Muller, Marcia, Fabris, Jose Luis

Journal:

Journal of Lightwave Technology

Year:

2018

Language:

english

File:

PDF, 752 KB

english, 2018

32

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

33

Benchmark Rovibrational Linelists and Einstein A-coefficients for the Primordial Molecules and Isotopologues

Amaral, Paulo H. R., Diniz, Leonardo G., Jones, Keith A., Stanke, Monika, Alijah, Alexander, Adamowicz, Ludwik, Mohallem, José R.

Journal:

The Astrophysical Journal

Year:

2019

File:

PDF, 456 KB

2019

34

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

35

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

36

Probing molecular environments with a fictitious isotopic dipole

Mohallem, José R., Velloso, Paulo F. G., Arapiraca, Antonio F. C.

Journal:

International Journal of Quantum Chemistry

Year:

2019

File:

PDF, 1.25 MB

2019

37

Non-adiabatic effects in the H 3+ spectrum

Amaral, Paulo H. R., Stanke, Monika, Adamowicz, Ludwik, Diniz, Leonardo G., Mohallem, José R., Alijah, Alexander

Journal:

Philosophical Transactions Mathematical Physical & Engineering Sciences

Year:

2019

Language:

english

File:

PDF, 1.07 MB

english, 2019

38

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

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

Direct and one-step synthesis of polythiophene/gold nanoparticles thin films through liquid/liquid interfacial polymerization

Inagaki, Camila Suemi, Oliveira, Marcela Mohallem, Zarbin, Aldo José Gorgatti

Journal:

Journal of Colloid and Interface Science

Year:

2018

Language:

english

File:

PDF, 3.68 MB

english, 2018

41

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

42

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

43

Close-coupling scattering cross sections and a model for positron cooling in a buffer gas of molecular nitrogen

Poveda, Luis A., Assafrão, Denise, Pinheiro, Jenifer G., Mohallem, José R.

Journal:

Physical Review A

Year:

2019

File:

PDF, 680 KB

2019

44

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

45

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

46

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

47

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

48

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

49

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

50

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

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