| 2018 |
Capítulo de livro |
The astrochemical observatory: The interaction between helium and the chiral molecule propylene oxide
Alessandra Ferreira ALBERNAZ; Patrícia Regina Pereira BARRETO; Vincenzo AQUILANTI; Andrea LOMBARDI; Federico PALAZZETTI et al
The astrochemical observatory: The interaction between helium and the chiral molecule propylene oxide
DOI 10.1063/1.5079060
ISBN 9780735417663
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PS
Astronomy and Astrophysics
|
| 2018 |
Trabalho em evento |
The interaction between Rg and the chiral molecule propylene oxide
Barreto Patricia R P; Cruz Ana Claudia P S; Euclides Henrique O; Alessandra Ferreira ALBERNAZ; Palazzetti FEDERICO et al
VII Simpósio de Estrutura Eletrônica e Dinâmica Molecular
DOI 10.21826/9788563800374077
ISBN 9788563800374
|
PS
Physical and Theoretical Chemistry
|
| 2018 |
Trabalho em evento |
Theoretical Kinetic Studies of the Hydrodehalogenation Reaction of CBrClF2 (Halon-1211)
Alessandra Ferreira ALBERNAZ; Barreto Patrícia R P
VII Simpósio de Estrutura Eletrônica e Dinâmica Molecular
DOI 10.21826/9788563800374005
ISBN 9788563800374
|
PS
Physical and Theoretical Chemistry
|
| 2018 |
Artigo em periódico |
Mapping the configurations of four-bar mechanisms as chirality change processes: a clue in evolutionary science
Alessandra Ferreira ALBERNAZ; Aquilanti VINCENZO; Patrícia Regina Pereira BARRETO; Ana Carla Peixoto BITENCOURT; Caglioti CONCETTA et al
Memorie di Scienze Fisiche e Naturali
ISSN 0392-4130
|
LS
Ecology; Evolution; Behavior and Systematics
|
| 2017 |
Artigo em periódico |
Theoretical study of the H + HCN → H + HNC process
Correa EBERTH; Da Silva Washington BARBOSA; P Barreto Patricia R; Alessandra Ferreira ALBERNAZ
JOURNAL OF MOLECULAR MODELING
DOI 10.1007/s00894-017-3335-7
ISSN 1610-2940
|
PS
Mathematical Physics
|
| 2017 |
Artigo em periódico |
The spherical-harmonics representation for the interaction between diatomic molecules: The general case and applications to CO - CO and CO - HF
Barreto Patricia R P; Cruz Ana Claudia P S; Barreto Rodrigo L P; Palazzetti FEDERICO; Alessandra Ferreira ALBERNAZ et al
JOURNAL OF MOLECULAR SPECTROSCOPY
DOI 10.1016/j.jms.2017.05.009
ISSN 0022-2852
|
PS
Physical and Theoretical Chemistry
|
| 2017 |
Artigo em periódico |
Gas phase Boudouard reactions involving singlet-singlet and singlet-triplet CO vibrationally excited states: implications for the non-equilibrium vibrational kinetics of CO/CO2 plasmas
Barreto Patricia R P; Euclides Henrique De O; Alessandra Ferreira ALBERNAZ; Aquilanti VINCENZO; Capitelli MARIO et al
EUROPEAN PHYSICAL JOURNAL D
DOI 10.1140/epjd/e2017-80103-1
ISSN 1434-6060
|
PS
Physical and Theoretical Chemistry
|
| 2017 |
Artigo em periódico |
Rate constant calculations of the C2 + HCN → CCCN+H addition via the Master Equation
Da Silva Washington BARBOSA; Alessandra Ferreira ALBERNAZ; Patrícia Regina Pereira BARRETO; Correa EBERTH
JOURNAL OF MOLECULAR MODELING
DOI 10.1007/s00894-017-3305-0
ISSN 1610-2940
|
PS
Physical and Theoretical Chemistry
|
| 2016 |
Capítulo de livro |
Spherical and hyperspherical harmonics representation of van der Waals aggregates
Andrea LOMBARDI; Federico PALAZZETTI; Vincenzo AQUILANTI; Grossi G; Alessandra Ferreira ALBERNAZ et al
Spherical and hyperspherical harmonics representation of van der Waals aggregates
DOI 10.1063/1.4968631
ISBN 9780735414549
|
PS
Physical and Theoretical Chemistry
|
| 2016 |
Artigo em periódico |
Theoretical Studies of Oligomers Used in the Composition of Photovoltaic Cells or Organic Lighting Emitting Diodes
Simone RAMALHO; Kamilla De Faria CÂNDIDO; Alessandra Ferreira ALBERNAZ
Revista Virtual de Química
DOI 10.5935/1984-6835.20160033
ISSN 1984-6835
|
PS
Organic Chemistry
|
| 2016 |
Artigo em periódico |
Hyperspherical Coordinate Potential Energy Surface for the He 3</sub> Complex
Barreto Patricia R P; Alessandra Ferreira ALBERNAZ
Revista Virtual de Química
DOI 10.5935/1984-6835.20160025
ISSN 1984-6835
|
PS
Physical and Theoretical Chemistry
|
| 2016 |
Artigo em periódico |
Kinetic Mechanism Study of Reaction C2H + C2H2 via TST
Washington Barbosa Da SILVA; Alessandra Ferreira ALBERNAZ
REVISTA VIRTUAL DE QUÍMICA
DOI 10.5935/1984-6835.20160029
ISSN 1984-6835
|
PS
Physical and Theoretical Chemistry
|
| 2016 |
Artigo em periódico |
Interactions of Hydrogen Molecules with Halogen Containing Diatomics from ab Initio Calculations. Spherical-Harmonics Representation and Characterization of the Intermolecular Potentials
Alessandra Ferreira ALBERNAZ; Aquilanti VINCENZO; Barreto Patricia Regina P; Caglioti CONCETTA; Cruz Ana Claudia P S et al
The Journal of Physical Chemistry. A
DOI 10.1021/acs.jpca.6b01718
ISSN 1089-5639
|
PS
Physical and Theoretical Chemistry
|
| 2016 |
Artigo em periódico |
A IMPORTÂNCIA DA UTILIZAÇÃO DE CARTUNS NO ENSINO MÉDIO COMO FERRAMENTA PARA O APRENDIZADO DE MECÂNICA QUÂNTICA
Rendisley Aristóteles Dos Santos PAIVA; Ronni Geraldo Gomes De AMORIM; Caio Marcello Mota POLITO; Washington Barbosa Da SILVA; Alessandra Ferreira ALBERNAZ
Caderno de Física da UEFS
ISSN 2527-0230
|
PS
Physics and Astronomy (miscellaneous)
|
| 2016 |
Artigo em periódico |
Predicting New Pathways for the Reaction CN + C 2</sub> H 2</sub>
Silva Washington B DA; Ricardo GARGANO; Geraldo Magela E SILVA; Alessandra Ferreira ALBERNAZ
Revista Virtual de Química
DOI 10.5935/1984-6835.20160038
ISSN 1984-6835
|
PS
Organic Chemistry
|
| 2015 |
Trabalho em evento |
Rate Constant Calculations for the New Pathways of the CN+C2H2 Reaction
Ricardo GARGANO; Alessandra Ferreira ALBERNAZ; Washington Barbosa Da SILVA
The 55th Sanibel Symposium
|
PS
Physical and Theoretical Chemistry
|
| 2015 |
Artigo em periódico |
Theoretical Study of the Mechanism and Rate Constant Calculations of the Reaction of Carbon Monoxide with Ethylene
Silva Washington Barbosa DA; Alessandra Ferreira ALBERNAZ
REVISTA PROCESSOS QUÍMICOS
DOI 10.19142/rpq.v9i18.311
ISSN 1981-8521
|
PS
Organic Chemistry
|
| 2015 |
Artigo em periódico |
A combined crossed molecular beams and theoretical study of the reaction CN + C2H4
Balucani NADIA; Leonori FRANCESCA; Petrucci RAFFAELE; Wang XINGAN; Casavecchia PIERGIORGIO et al
CHEMICAL PHYSICS
DOI 10.1016/j.chemphys.2014.12.014
ISSN 0301-0104
|
PS
Physical and Theoretical Chemistry
|
| 2014 |
Trabalho em evento |
Molecular Interaction of Ethanol ? (Water)n Clusters
Alessandra Ferreira ALBERNAZ; Ana Cláudia P S CRUZ; Henrique O EUCLIDES; Patrícia Regina Pereira BARRETO
V Simpósio de Estrutura Eletrônica e Dinâmica Molecular
|
PS
Physical and Theoretical Chemistry
|
| 2014 |
Trabalho em evento |
Study of Potential Energy Surface and Rate Constants for CN + C2H2 Reaction
Alessandra Ferreira ALBERNAZ; Ricardo GARGANO; Geraldo Magela E SILVA; Washington Barbosa Da SILVA
V Simpósio de Estrutura Eletrônica e Dinâmica Molecular
|
PS
Physical and Theoretical Chemistry
|
| 2014 |
Trabalho em evento |
Structural and Electronic Properties of Theobromine: Molecular Dynamics and Density Functional Theory
Lauriane G SANTIN; Solemar Silva OLIVEIRA; Ademir J CAMARGO; Alessandra Ferreira ALBERNAZ; Ricardo GARGANO
V Simpósio de Estrutura Eletrônica e Dinâmica Molecular
|
PS
Physical and Theoretical Chemistry
|
| 2014 |
Trabalho em evento |
Molecular Structure and Electronic Properties of Oligomers: A Theoretical Investigation
Simone RAMALHO; Kamilla De Faria CÂNDIDO; Alessandra Ferreira ALBERNAZ; Patrícia Regina Pereira BARRETO
V Simpósio de Estrutura Eletrônica e Dinâmica Molecular
|
PS
Physical and Theoretical Chemistry
|
| 2014 |
Artigo em periódico |
Rovibrational energy and spectroscopic constant calculations of CH 4---CH 4; CH 4---H 2 O; CH 4---CHF 3; and H 2 O---CHF 3 dimers
Cunha Wiliam F; Ricardo GARGANO; Edgardo GARCIA; Politi José R S; Alessandra Ferreira ALBERNAZ et al
JOURNAL OF MOLECULAR MODELING
DOI 10.1007/s00894-014-2298-1
ISSN 1610-2940
|
PS
Physical and Theoretical Chemistry
|
| 2013 |
Trabalho em evento |
Hydrated Ethanol Dissociation Mechanis;
Alessandra Ferreira ALBERNAZ; Ana Cláudia P S CRUZ; Henrique O EUCLIDES; Patrícia Regina Pereira BARRETO
XVIII Workshop on Quantum Systems in Chemistry; Physics and Biology
|
PS
Physical and Theoretical Chemistry
|
| 2013 |
Trabalho em evento |
A Combined Crossed Molecular Beam an Theoretical Study of the Reaction CN + C2H4
Nadia BALICANI; Francesca LEONORI; Raffaele PETRUCCI; Xingan WANG; Dimitrios SKOUTERIS et al
17° SBQT - Simpósio Brasileiro de Química Teórica
|
PS
Physical and Theoretical Chemistry
|