Special Issue Preface pubs.acs.org/JPCA
Energetics and Dynamics of Molecules, Solids, and Surfaces − QUITEL 2012
T
The meetings, thereafter, alternated among Italy, France, and Spain for a period of more than 30 years, when there were changes due to the participation of Belgium, Switzerland, and Portugal. As a function of the results obtained, Latin America adhered to QUITEL, and subsequently Africa, crowning this initiative and creating a solid basis for its continuation. Since 2006, QUITEL has alternated among Europe, Africa, and Latin America (1974), with the participation of Cuba (La Habana) and Columbia (San Andrés) (see table below). QUITEL 2012 was held in Natal, Brazil, during the period of December 2−7, 2012. The Chair was Prof. Dr. Elson Longo, Unesp, Araraquara, SP, Brazil. The Co-Chair was Prof. Dr. Julio R. Sambrano, UNESP, Araraquara, SP, Brazil. Prof. Dr. Carlton A. Taft, Centro Brasileiro de Pesquisas Fisicas (CBPF), RJ, Brazil, a member of the National Organization Committe of QUITEL 2012, had the previous experience of being Guest Editor in 2008 for a Special Editon of The Journal Physical Chemistry A (2008, 112 (38), 8887−9165): Energetics and Dynamics of Molecules, Solids, and Surfaces. He had also organized in 2009 a Symposium for the International Conference on Advanced Materials (ICAM-2009) in Rio de Janeiro, Brazil. With this background experience he was invited by the Chair and Co-Chair to edit a special issue dedicated to QUITEL 2012. We thank The Journal Physical Chemestry A and their editors that kindly agreed to host this Festschrift with Prof. Dr. Carlton A. Taft as Guest Editor. We note that although four different Latin languages were used in the past, English is becoming more used, essentially because it is the natural vehicle for communication in science. QUITEL is dedicated to presenting new theories, models, methodologies, applications, and results of Theoretical and Computational Chemistry.
he idea of organizing QUITEL started in the laboratory of Prof. Bernard Pullman, on the third floor of the Institute of Biological Physical-Chemistry in Paris. This took place during an exchange of ideas betwen Professor Pullman and Professor Giuseppe Del Re. The topic of the conversation was about different evaluations of the role of theoretical chemistry in Italy, France, and countries such as England and the United States. Apparently, the theoreticians were more interested in the meaning of the numerical results to associate them with the physical-chemical phenomena than in the numbers themselves. Notwithstanding, there was need to present the numerical results in a transparent form such that the numbers could go beyond linguistic barriers. The alternatives were to adopt a language that was not too complex and was accessible to all or to mantain the language of each researcher, increasing the capability of expressing ideas more clearly, with the risk of taking away the comprehension of participants whose vehicles of expression were not the same as the speaker. The final result of this dialogue was characterized by the need for convergence, because there was truly no communication barrier between the researchers of Latin expression. Between these scientists, the scientific terms were very similar. From this point arose the ideia for a meeting of French and Italian theoreticians, whose organization was proposed by Prof. Del Re, of Italy, jointly with his collaborators Fabio Momicchioli, Augusto Rastelli, Beniamino Cadioli, and Ugo Pincelli of Modena. The first meeting was scheduled for the year 1968, but due to political reasons it was rescheduled for the following year (1969). The participants were satisfied with the initiative, and there was agreement regarding a subsequent meeting in France, with the participation of Prof. Raymond Daudel and his Spanish colleagues, who also attended the meeting of 1970. After this meeting the QUI(CHI)TEL was held in Granada, Spain (1971). Year
Carlton A. Taft, Guest Editor Centro Brasileiro de Pesquisas Físicas (CBPF)
City (Country)
Organization
1
1969
Modena (ITA)
Fabio Momicchioli
2
1970
Paris (FRA)
Alberte Pullman
3
1971
Granada (SPA)
4
1972
Cortona (ITA)
Bernard Pullman José Ignacio Fernández-Alonso Eolo Scrocco Oriano Salvetti 5
1974
Morelia (MEX)
Raúl Cetina
6
1975
Arlés (FRA)
André Julg
7
1976
Wepion (BEL)
Jean Marie Andre Georges Leroy Raymond Daudel
Special Issue: Energetics and Dynamics of Molecules, Solids, and Surfaces - QUITEL 2012 Published: August 7, 2014 © 2014 American Chemical Society
5741
dx.doi.org/10.1021/jp504188q | J. Phys. Chem. A 2014, 118, 5741−5742
The Journal of Physical Chemistry A Year 8
1977
Special Issue Preface City (Country) Salamanca (SPA)
Organization Miguel AngelHerraez Zarza Yves Smeyers
9
1978
Stresa (ITA)
10
1979
Géneve (SWI)
Enrico Clementi Jacques Weber
11
1980
Pau (FRA)
Max Chaillet
12
1981
Barcelona (SPA)
Ramón Carbó-Dorca
13
1982
Alghero (ITA)
Massimo Simonetta
14
1983
Louvain (BEL)
Georges Leroy Daniel Peeters
15
1984
Viana do Castelo (POR)
José Ferreira Gomes
16
1986
Lyon (FRA)
Claudette Barbier-Chapelet Monique Aubert Frecon Henry Chermette
17
1987
́ Peñiscola (SPA)
José Ignacio Fernández-Alonso Francisco Tomas Vert
18
1989
La Plata (ARG)
Eduardo Castro
19
1990
Roma (ITA)
Maurizio Cignitti Mario Bossa Franco Gianturco
20
1992
Mérida (VEN)
Eduardo Ludeña Wilmer Olivares
21
1993
Grenoble (FRA)
André Grand
22
1995
Pucón (CHI)
Alejandro Toro-Labbe
23
1996
Cáceres (SPA)
Francisco Olivares del Valle
24
1998
Puebla (MEX)
Alejandro Palma
25
1999
Napoli (ITA)
Vincenzo Barone
26
2000
Caxambu (BRA)
Marco Antonio Chaer Nascimento
27
2001
Toulouse (FRA)
Daniel Maynau
28
2002
Montevideo (URU)
Oscar Ventura
29
2003
Marrakech (MAR)
M’hammed Esseffar
30
2004
Porto (POR)
Maria Joao Ramos
31
2005
Isla Margarita (VEN)
Fernando Ruette
32
2006
Côtes de Carthage (TUN)
Bahoueddine Tangour
33
2007
Habana (CUB)
Luis A. Montero
34
2008
Cetraro (ITA)
Nino Russo
35
2009
San Andrés(COL)
Andrés Reyes
36
2010
Anglet (FR)
Robert Subra
Claude Pouchan Philippe Carbonnière
37 38
2011 2012
Riviera Maya (MEX)
Gabriel Merino
Natal (BRA)
Alberto Vela Élson Longo Julio R. Sambrano
5742
dx.doi.org/10.1021/jp504188q | J. Phys. Chem. A 2014, 118, 5741−5742
Energetics and Dynamics of Molecules, Solids, and Surfaces − QUITEL 2012
T
The meetings, thereafter, alternated among Italy, France, and Spain for a period of more than 30 years, when there were changes due to the participation of Belgium, Switzerland, and Portugal. As a function of the results obtained, Latin America adhered to QUITEL, and subsequently Africa, crowning this initiative and creating a solid basis for its continuation. Since 2006, QUITEL has alternated among Europe, Africa, and Latin America (1974), with the participation of Cuba (La Habana) and Columbia (San Andrés) (see table below). QUITEL 2012 was held in Natal, Brazil, during the period of December 2−7, 2012. The Chair was Prof. Dr. Elson Longo, Unesp, Araraquara, SP, Brazil. The Co-Chair was Prof. Dr. Julio R. Sambrano, UNESP, Araraquara, SP, Brazil. Prof. Dr. Carlton A. Taft, Centro Brasileiro de Pesquisas Fisicas (CBPF), RJ, Brazil, a member of the National Organization Committe of QUITEL 2012, had the previous experience of being Guest Editor in 2008 for a Special Editon of The Journal Physical Chemistry A (2008, 112 (38), 8887−9165): Energetics and Dynamics of Molecules, Solids, and Surfaces. He had also organized in 2009 a Symposium for the International Conference on Advanced Materials (ICAM-2009) in Rio de Janeiro, Brazil. With this background experience he was invited by the Chair and Co-Chair to edit a special issue dedicated to QUITEL 2012. We thank The Journal Physical Chemestry A and their editors that kindly agreed to host this Festschrift with Prof. Dr. Carlton A. Taft as Guest Editor. We note that although four different Latin languages were used in the past, English is becoming more used, essentially because it is the natural vehicle for communication in science. QUITEL is dedicated to presenting new theories, models, methodologies, applications, and results of Theoretical and Computational Chemistry.
he idea of organizing QUITEL started in the laboratory of Prof. Bernard Pullman, on the third floor of the Institute of Biological Physical-Chemistry in Paris. This took place during an exchange of ideas betwen Professor Pullman and Professor Giuseppe Del Re. The topic of the conversation was about different evaluations of the role of theoretical chemistry in Italy, France, and countries such as England and the United States. Apparently, the theoreticians were more interested in the meaning of the numerical results to associate them with the physical-chemical phenomena than in the numbers themselves. Notwithstanding, there was need to present the numerical results in a transparent form such that the numbers could go beyond linguistic barriers. The alternatives were to adopt a language that was not too complex and was accessible to all or to mantain the language of each researcher, increasing the capability of expressing ideas more clearly, with the risk of taking away the comprehension of participants whose vehicles of expression were not the same as the speaker. The final result of this dialogue was characterized by the need for convergence, because there was truly no communication barrier between the researchers of Latin expression. Between these scientists, the scientific terms were very similar. From this point arose the ideia for a meeting of French and Italian theoreticians, whose organization was proposed by Prof. Del Re, of Italy, jointly with his collaborators Fabio Momicchioli, Augusto Rastelli, Beniamino Cadioli, and Ugo Pincelli of Modena. The first meeting was scheduled for the year 1968, but due to political reasons it was rescheduled for the following year (1969). The participants were satisfied with the initiative, and there was agreement regarding a subsequent meeting in France, with the participation of Prof. Raymond Daudel and his Spanish colleagues, who also attended the meeting of 1970. After this meeting the QUI(CHI)TEL was held in Granada, Spain (1971). Year
Carlton A. Taft, Guest Editor Centro Brasileiro de Pesquisas Físicas (CBPF)
City (Country)
Organization
1
1969
Modena (ITA)
Fabio Momicchioli
2
1970
Paris (FRA)
Alberte Pullman
3
1971
Granada (SPA)
4
1972
Cortona (ITA)
Bernard Pullman José Ignacio Fernández-Alonso Eolo Scrocco Oriano Salvetti 5
1974
Morelia (MEX)
Raúl Cetina
6
1975
Arlés (FRA)
André Julg
7
1976
Wepion (BEL)
Jean Marie Andre Georges Leroy Raymond Daudel
Special Issue: Energetics and Dynamics of Molecules, Solids, and Surfaces - QUITEL 2012 Published: August 7, 2014 © 2014 American Chemical Society
5741
dx.doi.org/10.1021/jp504188q | J. Phys. Chem. A 2014, 118, 5741−5742
The Journal of Physical Chemistry A Year 8
1977
Special Issue Preface City (Country) Salamanca (SPA)
Organization Miguel AngelHerraez Zarza Yves Smeyers
9
1978
Stresa (ITA)
10
1979
Géneve (SWI)
Enrico Clementi Jacques Weber
11
1980
Pau (FRA)
Max Chaillet
12
1981
Barcelona (SPA)
Ramón Carbó-Dorca
13
1982
Alghero (ITA)
Massimo Simonetta
14
1983
Louvain (BEL)
Georges Leroy Daniel Peeters
15
1984
Viana do Castelo (POR)
José Ferreira Gomes
16
1986
Lyon (FRA)
Claudette Barbier-Chapelet Monique Aubert Frecon Henry Chermette
17
1987
́ Peñiscola (SPA)
José Ignacio Fernández-Alonso Francisco Tomas Vert
18
1989
La Plata (ARG)
Eduardo Castro
19
1990
Roma (ITA)
Maurizio Cignitti Mario Bossa Franco Gianturco
20
1992
Mérida (VEN)
Eduardo Ludeña Wilmer Olivares
21
1993
Grenoble (FRA)
André Grand
22
1995
Pucón (CHI)
Alejandro Toro-Labbe
23
1996
Cáceres (SPA)
Francisco Olivares del Valle
24
1998
Puebla (MEX)
Alejandro Palma
25
1999
Napoli (ITA)
Vincenzo Barone
26
2000
Caxambu (BRA)
Marco Antonio Chaer Nascimento
27
2001
Toulouse (FRA)
Daniel Maynau
28
2002
Montevideo (URU)
Oscar Ventura
29
2003
Marrakech (MAR)
M’hammed Esseffar
30
2004
Porto (POR)
Maria Joao Ramos
31
2005
Isla Margarita (VEN)
Fernando Ruette
32
2006
Côtes de Carthage (TUN)
Bahoueddine Tangour
33
2007
Habana (CUB)
Luis A. Montero
34
2008
Cetraro (ITA)
Nino Russo
35
2009
San Andrés(COL)
Andrés Reyes
36
2010
Anglet (FR)
Robert Subra
Claude Pouchan Philippe Carbonnière
37 38
2011 2012
Riviera Maya (MEX)
Gabriel Merino
Natal (BRA)
Alberto Vela Élson Longo Julio R. Sambrano
5742
dx.doi.org/10.1021/jp504188q | J. Phys. Chem. A 2014, 118, 5741−5742
