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Link de la búsquedaMarco Antonio Chaer Nascimento / SpringerLink (Online service) ; Fernando R. Ornellas ; Maria João Ramos (2014)
Título : Marco Antonio Chaer Nascimento : A Festschrift from Theoretical Chemistry Accounts Tipo de documento: documento electrónico Autores: SpringerLink (Online service) ; Fernando R. Ornellas ; Maria João Ramos Editorial: Berlin, Heidelberg : Springer Berlin Heidelberg Fecha de publicación: 2014 Otro editor: Imprint: Springer Colección: Highlights in Theoretical Chemistry, ISSN 2194-8666 num. 4 Número de páginas: V, 131 p. 61 illus., 22 illus. in color Il.: online resource ISBN/ISSN/DL: 978-3-642-41163-2 Idioma : Inglés (eng) Palabras clave: Chemistry Physical chemistry Chemistry, and theoretical Atomic structure Molecular Spectra Theoretical Computational Atomic/Molecular Structure Clasificación: 658 Empresas. Organización de empresas Resumen: In this Festschrift dedicated to the 65th birthday of Marco Antonio Chaer Nascimento, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry Nota de contenido: From the content: Preface -- Role of step sites on water dissociation on stoichiometric ceria surfaces -- Theoretical simulations of the vibrational predissociation spectra of H 5 + and D 5 + clusters -- A simple analysis of the influence of the solvent-induced electronic polarization on the 15N magnetic shielding of pyridine in water -- CompASM: an Amber-VMD alanine scanning mutagenesis plug-in En línea: http://dx.doi.org/10.1007/978-3-642-41163-2 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=36172 Marco Antonio Chaer Nascimento : A Festschrift from Theoretical Chemistry Accounts [documento electrónico] / SpringerLink (Online service) ; Fernando R. Ornellas ; Maria João Ramos . - Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2014 . - V, 131 p. 61 illus., 22 illus. in color : online resource. - (Highlights in Theoretical Chemistry, ISSN 2194-8666; 4) .
ISBN : 978-3-642-41163-2
Idioma : Inglés (eng)
Palabras clave: Chemistry Physical chemistry Chemistry, and theoretical Atomic structure Molecular Spectra Theoretical Computational Atomic/Molecular Structure Clasificación: 658 Empresas. Organización de empresas Resumen: In this Festschrift dedicated to the 65th birthday of Marco Antonio Chaer Nascimento, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry Nota de contenido: From the content: Preface -- Role of step sites on water dissociation on stoichiometric ceria surfaces -- Theoretical simulations of the vibrational predissociation spectra of H 5 + and D 5 + clusters -- A simple analysis of the influence of the solvent-induced electronic polarization on the 15N magnetic shielding of pyridine in water -- CompASM: an Amber-VMD alanine scanning mutagenesis plug-in En línea: http://dx.doi.org/10.1007/978-3-642-41163-2 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=36172 Ejemplares
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Título : Theoretical Chemistry in Belgium : A Topical Collection from Theoretical Chemistry Accounts Tipo de documento: documento electrónico Autores: SpringerLink (Online service) ; Benoît Champagne ; Michael S. Deleuze ; Frank de Proft ; Tom Leyssens Editorial: Berlin, Heidelberg : Springer Berlin Heidelberg Fecha de publicación: 2014 Otro editor: Imprint: Springer Colección: Highlights in Theoretical Chemistry, ISSN 2194-8666 num. 6 Número de páginas: VI, 288 p. 158 illus., 98 illus. in color Il.: online resource ISBN/ISSN/DL: 978-3-642-41315-5 Idioma : Inglés (eng) Palabras clave: Chemistry Physical chemistry Chemistry, and theoretical Atomic structure Molecular Spectra Theoretical Computational Atomic/Molecular Structure Clasificación: 658 Empresas. Organización de empresas Resumen: Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry Nota de contenido: From the Contents: Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces -- Ewald-type formulas for Gaussian-basis studies of one-dimensionally periodic systems -- Quantum chemical study of self-doping PPV oligomers: spin distribution of the radical forms -- Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method En línea: http://dx.doi.org/10.1007/978-3-642-41315-5 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=36175 Theoretical Chemistry in Belgium : A Topical Collection from Theoretical Chemistry Accounts [documento electrónico] / SpringerLink (Online service) ; Benoît Champagne ; Michael S. Deleuze ; Frank de Proft ; Tom Leyssens . - Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2014 . - VI, 288 p. 158 illus., 98 illus. in color : online resource. - (Highlights in Theoretical Chemistry, ISSN 2194-8666; 6) .
ISBN : 978-3-642-41315-5
Idioma : Inglés (eng)
Palabras clave: Chemistry Physical chemistry Chemistry, and theoretical Atomic structure Molecular Spectra Theoretical Computational Atomic/Molecular Structure Clasificación: 658 Empresas. Organización de empresas Resumen: Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry Nota de contenido: From the Contents: Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces -- Ewald-type formulas for Gaussian-basis studies of one-dimensionally periodic systems -- Quantum chemical study of self-doping PPV oligomers: spin distribution of the radical forms -- Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method En línea: http://dx.doi.org/10.1007/978-3-642-41315-5 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=36175 Ejemplares
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Título : 8th Congress on Electronic Structure: Principles and Applications (ESPA 2012) : A Conference Selection from Theoretical Chemistry Accounts Tipo de documento: documento electrónico Autores: SpringerLink (Online service) ; Juan J. Novoa ; Manuel F. Ruiz López Editorial: Berlin, Heidelberg : Springer Berlin Heidelberg Fecha de publicación: 2014 Otro editor: Imprint: Springer Colección: Highlights in Theoretical Chemistry, ISSN 2194-8666 num. 5 Número de páginas: VI, 230 p. 137 illus., 20 illus. in color Il.: online resource ISBN/ISSN/DL: 978-3-642-41272-1 Idioma : Inglés (eng) Palabras clave: Chemistry Chemistry, Physical and theoretical Atoms Physics Materials science Theoretical Computational Atomic, Molecular, Optical Plasma Characterization Evaluation of Clasificación: 658 Empresas. Organización de empresas Resumen: This volume collects research findings presented at the 8th Edition of the Electronic Structure: Principles and Applications (ESPA-2012) International Conference, held in Barcelona, Spain on June 26-29, 2012. The contributions cover research work on methods and fundamentals of theoretical chemistry, chemical reactivity, bimolecular modeling, and materials science. Originally published in the journal Theoretical Chemistry Accounts, these outstanding papers are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal Nota de contenido: From the Contents: Analysis of the origin of lateral interactions in the adsorption of small organic molecules on oxide surfaces -- First-principles study of structure and stability in Si–C–O-based materials -- A time-dependent DFT/molecular dynamics study of the proton-wire responsible for the red fluorescence in the LSSmKate2 protein -- Preface to the ESPA-2012 special issue En línea: http://dx.doi.org/10.1007/978-3-642-41272-1 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=36173 8th Congress on Electronic Structure: Principles and Applications (ESPA 2012) : A Conference Selection from Theoretical Chemistry Accounts [documento electrónico] / SpringerLink (Online service) ; Juan J. Novoa ; Manuel F. Ruiz López . - Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2014 . - VI, 230 p. 137 illus., 20 illus. in color : online resource. - (Highlights in Theoretical Chemistry, ISSN 2194-8666; 5) .
ISBN : 978-3-642-41272-1
Idioma : Inglés (eng)
Palabras clave: Chemistry Chemistry, Physical and theoretical Atoms Physics Materials science Theoretical Computational Atomic, Molecular, Optical Plasma Characterization Evaluation of Clasificación: 658 Empresas. Organización de empresas Resumen: This volume collects research findings presented at the 8th Edition of the Electronic Structure: Principles and Applications (ESPA-2012) International Conference, held in Barcelona, Spain on June 26-29, 2012. The contributions cover research work on methods and fundamentals of theoretical chemistry, chemical reactivity, bimolecular modeling, and materials science. Originally published in the journal Theoretical Chemistry Accounts, these outstanding papers are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal Nota de contenido: From the Contents: Analysis of the origin of lateral interactions in the adsorption of small organic molecules on oxide surfaces -- First-principles study of structure and stability in Si–C–O-based materials -- A time-dependent DFT/molecular dynamics study of the proton-wire responsible for the red fluorescence in the LSSmKate2 protein -- Preface to the ESPA-2012 special issue En línea: http://dx.doi.org/10.1007/978-3-642-41272-1 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=36173 Ejemplares
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Título : For Better or For Worse? Collaborative Couples in the Sciences Tipo de documento: documento electrónico Autores: SpringerLink (Online service) ; Annette Lykknes ; Donald L. Opitz ; Brigitte van Tiggelen Editorial: Basel : Springer Basel Fecha de publicación: 2012 Otro editor: Imprint: Springer Colección: Science Networks. Historical Studies, ISSN 1421-6329 num. 44 Número de páginas: XIV, 322 p Il.: online resource ISBN/ISSN/DL: 978-3-0348-0286-4 Idioma : Inglés (eng) Palabras clave: Mathematics History Chemistry Plant genetics Animal Physics of Mathematical Sciences Science Chemistry/Food Science, general Physics, Genetics and Genomics & Clasificación: 51 Matemáticas Resumen: In this volume, a distinguished set of international scholars examine the nature of collaboration between life partners in the sciences, with particular attention to the ways in which personal and professional dynamics can foster or inhibit scientific practice. Breaking from traditional gender analyses which focus on divisions of labor and the assignment of credit, the studies scrutinize collaboration as a variable process between partners living in the nineteenth and twentieth centuries who were married and divorced, heterosexual and homosexual, aristocratic and working-class and politically right and left. The contributors analyze cases shaped by their particular geographical locations, ranging from retreat settings like the English countryside and Woods Hole, Massachusetts, to university laboratories and urban centers in Berlin, Stockholm, Geneva and London. The volume demonstrates how the terms and meanings of collaboration, variably shaped by disciplinary imperatives, cultural mores, and the agency of the collaborators themselves, illuminate critical intellectual and institutional developments in the modern sciences Nota de contenido: Foreword, by S.G. Kohlstedt - 1. Introduction -- 2. The Making of a Bestseller: Alexander and Jane Marcet’s Conversations on Chemistry, by J.-J. Dreifuss and N.T. Sigrist. - 3. ‘Not merely wifely devotion’: Collaborating in the Construction of Science at Terling Place, by D.L. Opitz. - 4. The Mystery of the Nobel Laureate and His Vanishing Wife, by J. Harvey. - 5. Married for Science, Divorced for Love: Success and Failure in the Collaboration between Astrid Cleve and Hans von Euler-Chelpin, by K. Espmark and C. Nordlund. - 6. Ida and Walter Noddack through Better and Worse: An Arbeitsgemeinschaft in Chemistry, by B. Van Tiggelen and A. Lykknes. - 7. A Model Collaborative Couple in Genetics: Anna Rachel Whiting and Phineas Westcott Whiting’s Study of Sex Determination in Habrobracon, by M.L. Richmond. - 8. Social Reform Collaboration and Gendered Academization: Three Swedish Social Science Couples at the Turn of the Twentieth Century, by P. Wisselgren. - 9. Social Science Couples in Britain at the Turn of the Twentieth Century: Gender Divisions in Work and Marriage, by E.J. Yeo. - 10. Co-operative Comradeships versus Same-Sex Partnerships: Historicizing Collaboration among Homosexual Couples in the Sciences, by D.L. Opitz - Epilogue: Collaborative Couples – Past, Present and Future, by N.G. Slack. - Select Bibliography -- Contributor Biographies -- Index En línea: http://dx.doi.org/10.1007/978-3-0348-0286-4 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=32874 For Better or For Worse? Collaborative Couples in the Sciences [documento electrónico] / SpringerLink (Online service) ; Annette Lykknes ; Donald L. Opitz ; Brigitte van Tiggelen . - Basel : Springer Basel : Imprint: Springer, 2012 . - XIV, 322 p : online resource. - (Science Networks. Historical Studies, ISSN 1421-6329; 44) .
ISBN : 978-3-0348-0286-4
Idioma : Inglés (eng)
Palabras clave: Mathematics History Chemistry Plant genetics Animal Physics of Mathematical Sciences Science Chemistry/Food Science, general Physics, Genetics and Genomics & Clasificación: 51 Matemáticas Resumen: In this volume, a distinguished set of international scholars examine the nature of collaboration between life partners in the sciences, with particular attention to the ways in which personal and professional dynamics can foster or inhibit scientific practice. Breaking from traditional gender analyses which focus on divisions of labor and the assignment of credit, the studies scrutinize collaboration as a variable process between partners living in the nineteenth and twentieth centuries who were married and divorced, heterosexual and homosexual, aristocratic and working-class and politically right and left. The contributors analyze cases shaped by their particular geographical locations, ranging from retreat settings like the English countryside and Woods Hole, Massachusetts, to university laboratories and urban centers in Berlin, Stockholm, Geneva and London. The volume demonstrates how the terms and meanings of collaboration, variably shaped by disciplinary imperatives, cultural mores, and the agency of the collaborators themselves, illuminate critical intellectual and institutional developments in the modern sciences Nota de contenido: Foreword, by S.G. Kohlstedt - 1. Introduction -- 2. The Making of a Bestseller: Alexander and Jane Marcet’s Conversations on Chemistry, by J.-J. Dreifuss and N.T. Sigrist. - 3. ‘Not merely wifely devotion’: Collaborating in the Construction of Science at Terling Place, by D.L. Opitz. - 4. The Mystery of the Nobel Laureate and His Vanishing Wife, by J. Harvey. - 5. Married for Science, Divorced for Love: Success and Failure in the Collaboration between Astrid Cleve and Hans von Euler-Chelpin, by K. Espmark and C. Nordlund. - 6. Ida and Walter Noddack through Better and Worse: An Arbeitsgemeinschaft in Chemistry, by B. Van Tiggelen and A. Lykknes. - 7. A Model Collaborative Couple in Genetics: Anna Rachel Whiting and Phineas Westcott Whiting’s Study of Sex Determination in Habrobracon, by M.L. Richmond. - 8. Social Reform Collaboration and Gendered Academization: Three Swedish Social Science Couples at the Turn of the Twentieth Century, by P. Wisselgren. - 9. Social Science Couples in Britain at the Turn of the Twentieth Century: Gender Divisions in Work and Marriage, by E.J. Yeo. - 10. Co-operative Comradeships versus Same-Sex Partnerships: Historicizing Collaboration among Homosexual Couples in the Sciences, by D.L. Opitz - Epilogue: Collaborative Couples – Past, Present and Future, by N.G. Slack. - Select Bibliography -- Contributor Biographies -- Index En línea: http://dx.doi.org/10.1007/978-3-0348-0286-4 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=32874 Ejemplares
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Título : High Performance Computing in Science and Engineering’ 05 : Transactions of the High Performance Computing Center Stuttgart (HLRS) 2005 Tipo de documento: documento electrónico Autores: SpringerLink (Online service) ; Wolfgang E. Nagel ; Michael M. Resch ; Willi Jäger Editorial: Berlin, Heidelberg : Springer Berlin Heidelberg Fecha de publicación: 2006 Número de páginas: XI, 340 p. 179 illus., 126 illus. in color Il.: online resource ISBN/ISSN/DL: 978-3-540-29064-3 Idioma : Inglés (eng) Palabras clave: Mathematics Chemistry, Physical and theoretical Computer science mathematics Physics Computational Numerical Analysis Theoretical Chemistry of Computing Theoretical, Mathematical Clasificación: 51 Matemáticas Nota de contenido: Physics -- Simulations of Astrophysical Jets in Dense Environments -- Numerical Simulations of Host Galaxies of Gamma-Ray Bursts -- Electron-doping Evolution of the Quasiparticle Band of the Cuprates -- Libraries and Methods for Parallel Particle Simulations -- Solid State Physics -- Numerical Simulations of Quantum Gases, Magnetic, and Correlated Electronic Systems -- Large-Scale Simulations for Understanding Surface Optical Spectra -- Numerical Investigations of Nano-Systems in Reduced Geometry -- Computational Fluid Dynamics -- Direct Numerical Simulation of Non-Linear Transitional Stages in an Experimentally Investigated Laminar Separation Bubble -- Instabilities in Hypersonic Boundary Layers Under the Influence of High-temperature Gas Effects -- Direct Numerical Simulation of Breakup Phenomena in Liquid Jets and of Colliding Raindrops -- Numerical Investigation of the VKI Turbine Blade by Large Eddy Simulation -- A Hybrid LES/CAA Method for Aeroacoustic Applications -- Using Dynamic Mesh Models to Simulate Electrostatic Spray-Painting -- Numerical Simulation of Maneuvering Combat Aircraft -- Advanced Rotary Wing Aeromechanics -- Time-Accurate versus Actuator Disk Simulations of Complete Helicopters -- LES of Shock Wave/Turbulent Boundary Layer Interaction -- Detailed Combustion and Steamside Simulation of Fossil-fuel Fired Utility Boilers -- Chemistry -- Computational Chemistry -- Quantum Mechanical Studies of Boron Clustering in Silicon -- Ionic Liquids from A1C13 -- Miscellaneous Topics -- Considerations of the Biot Velocity Relations: Viscous Finite-difference Calculations in Combination with Flow Simulations -- Plateness of the Oceanic Lithosphere and the Thermal Evolution of the Earth’s Mantle -- Use of High Performance Computing in Gravity Field Research -- Molecular Modeling of Hydrogen Bonding Fluids -- Benchmarking MPI One-sided Communication with SKaMPI-5 En línea: http://dx.doi.org/10.1007/3-540-29064-8 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=34920 High Performance Computing in Science and Engineering’ 05 : Transactions of the High Performance Computing Center Stuttgart (HLRS) 2005 [documento electrónico] / SpringerLink (Online service) ; Wolfgang E. Nagel ; Michael M. Resch ; Willi Jäger . - Berlin, Heidelberg : Springer Berlin Heidelberg, 2006 . - XI, 340 p. 179 illus., 126 illus. in color : online resource.
ISBN : 978-3-540-29064-3
Idioma : Inglés (eng)
Palabras clave: Mathematics Chemistry, Physical and theoretical Computer science mathematics Physics Computational Numerical Analysis Theoretical Chemistry of Computing Theoretical, Mathematical Clasificación: 51 Matemáticas Nota de contenido: Physics -- Simulations of Astrophysical Jets in Dense Environments -- Numerical Simulations of Host Galaxies of Gamma-Ray Bursts -- Electron-doping Evolution of the Quasiparticle Band of the Cuprates -- Libraries and Methods for Parallel Particle Simulations -- Solid State Physics -- Numerical Simulations of Quantum Gases, Magnetic, and Correlated Electronic Systems -- Large-Scale Simulations for Understanding Surface Optical Spectra -- Numerical Investigations of Nano-Systems in Reduced Geometry -- Computational Fluid Dynamics -- Direct Numerical Simulation of Non-Linear Transitional Stages in an Experimentally Investigated Laminar Separation Bubble -- Instabilities in Hypersonic Boundary Layers Under the Influence of High-temperature Gas Effects -- Direct Numerical Simulation of Breakup Phenomena in Liquid Jets and of Colliding Raindrops -- Numerical Investigation of the VKI Turbine Blade by Large Eddy Simulation -- A Hybrid LES/CAA Method for Aeroacoustic Applications -- Using Dynamic Mesh Models to Simulate Electrostatic Spray-Painting -- Numerical Simulation of Maneuvering Combat Aircraft -- Advanced Rotary Wing Aeromechanics -- Time-Accurate versus Actuator Disk Simulations of Complete Helicopters -- LES of Shock Wave/Turbulent Boundary Layer Interaction -- Detailed Combustion and Steamside Simulation of Fossil-fuel Fired Utility Boilers -- Chemistry -- Computational Chemistry -- Quantum Mechanical Studies of Boron Clustering in Silicon -- Ionic Liquids from A1C13 -- Miscellaneous Topics -- Considerations of the Biot Velocity Relations: Viscous Finite-difference Calculations in Combination with Flow Simulations -- Plateness of the Oceanic Lithosphere and the Thermal Evolution of the Earth’s Mantle -- Use of High Performance Computing in Gravity Field Research -- Molecular Modeling of Hydrogen Bonding Fluids -- Benchmarking MPI One-sided Communication with SKaMPI-5 En línea: http://dx.doi.org/10.1007/3-540-29064-8 Link: https://biblioteca.cunef.edu/gestion/catalogo/index.php?lvl=notice_display&id=34920 Ejemplares
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