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Computational quantum chemistry an interactive guide to basis set theory / by Quinn, Charles M.

Table of Contents: “…Machine generated contents note: 1 Essential atomic orbital theory -- 11 Atomic orbitals for the hydrogen atom -- 12 Radial distribution functions for the hydrogen atom -- 13 Radial wave functions for many-electron atoms -- 14 Slater-type orbitals -- 15 Gaussian-type functions-the Isto-3g) minimal basis set -- 16 isto-ng) basis sets -- 17 Scaling factors -- 18 The (4s/2s) basis set, polarization and scaling factors for molecular -- environments -- 19 Gaussian-lobe and other Gaussian basis sets -- 2 Numerical integration -- 21 Numerical integration -- 22 Application of Simpson's rule to calculate a normalization integral -- 23 Calculations of normalization constants over the angular coordinates -- 24 Numerical integration in a cylindrical volume: diatomic and linear -- molecular geometries -- 25 Calculation of the overlap integral between Is orbitals in a Gaussian -- basis -- 26 Designing Gaussian basis sets to model Slater orbitals -- 3 Orthonormality -- 31 Orthonormality in Slater orbital and basis set theory -- 32 Orthonormality and Slater orbitals -- 33 Orthonormality and Gaussian orbitals -- 34 Orthonormality and double-zeta Slater orbitals -- 35 Orthonormality and split-basis or double-zeta Gaussian basis sets -- 36 The Jacobi transformation, diagonalization of a symmetric matrix and -- canonical orthogonalization -- 37 The S-1/2 'trick' -- 38 Symmetric orthonormalization -- 4 The hydrogen atom -numerical solutions -- 41 Eigenvalue calculations for hydrogen based on analytical functions -- 42 Calculations using Slater orbitals -- 43 Calculations with Gaussian functions -- 44 Calculations with split-basis [split-valence] sets -- 45 Review of results for the ls and 2s orbital energies in hydrogen -- 5 The helium atom and the self-consistent field -- 51 Hartree's analysis of the helium atom problem -- 52 Calculations with modified hydrogen atom wave functions -- 53 The Hall-Roothaan equations, the orbital approximation and -- the modem Hartree-Fock self-consistent field method -- 54 Calculations using Slater DZ functions -- 55 Gaussian basis set calculations for the helium atom-two-electron -- integrals over Gaussian basis functions -- 56 A HFS-SCF calculation with split-basis 14-31) for helium -- 57 Helium, singlet and triplet excited states, electron spin and the role -- of the Exchange integral -- 6 One- and two-electron diatoms -- 61 Calculations using hydrogen Is orbitals -- 62 Sto-3g calculations for H2+ -- 63 Calculations using Gaussian basis sets with the exact evaluation of -- integrals using Fourier transforms -- 64 Calculations involving the two-electron terms; the Isto-3g) -- HF-SCF results for dihydrogen -- 65 The standard form for the results of HFS-SCF calculations -- 66 The Isto-3g) HFS-SCF calculation for HeH+ -- 67 Polarization functions, Gaussian lobes and higher-order Gaussian -- basis sets -- 68 Epilogue.…”
An electronic book accessible through the World Wide Web; click to view

Advanced endovascular therapy of aortic disease

Table of Contents: “….] -- Traumatic disruption of the aorta / Ross Milner, Karthik Kasirajan, and Elliot Chaikof -- Should endovascular repair be considered the standard treatment in traumatic thoracic aortic injury? …”
An electronic book accessible through the World Wide Web; click to view

Les collections des arts du spectacle et leur traitement

Table of Contents: “…/ Claudia Balk and Petra Kraus -- Barry Russell : CESAR's standard-bearer / Anastassia Sakhnovskaia and Mark Bannister -- Performing art libraries at Düsseldorf : their role in the field of introducing computer-based information management within the theatre museum and the film museum / Margret Schild -- The Matriz software implemented to the collections of the National Theatre Museum of Portugal / Jose Carlos Alvarez -- Traitement informatique des collections relatives au Festival d'Avignon : présentation du catalogage informatisé dans la base OPALINE du Département des Arts du spectacle de la Bibliothéque nationale de France, a partir de l'exemple du Festival d'Avignon / Marie-Claude Billard -- Les arts du spectacle en Roumanie / Anisoara Burlacu, Camelia Savu.…”
An electronic book accessible through the World Wide Web; click to view

Psychopathology history, diagnosis, and empirical foundations / by Craighead, W. Edward

An electronic book accessible through the World Wide Web; click to view

The new neighborhood senior center : redefining social and service roles for the baby boom generation / by Weil, Joyce

An electronic book accessible through the World Wide Web; click to view

Materiology : the creatives guide to materials and technologies / by Kula, Daniel, Ternaux, Elodie

Table of Contents: “…Acrylonitrile butadiene styrene -- Aerogels -- Alucobond® -- Aluminum -- Asphalt -- Basalt, melted and lava -- Bakelite -- Bamboo -- Biopolymers -- Brass -- Bronze -- Burrs -- Carbon -- Cardboard -- Cast iron -- Cellulose acetate -- Ceramic, architectural -- Ceramic, technical -- Ceramic, traditional -- Chipboard -- Concretes, conventional -- Concretes, fibre -- Concrete, high performance -- Copper -- Cork -- Crystal -- Diamond -- Electroluminescence -- Emerald -- Epoxy or epoxides polyepoxides -- Felt -- Fibres, artificial -- Fibres, carbon, aramid, basalt -- Fibres, glass -- Fibres of animal origin -- Fibres of vegetable origin -- Fibres, synthetic -- Foams -- Full grain leather -- Fur -- Gallium -- Glass, 3D -- Glass, borosilicate -- Glass, coated -- Glass, security-safety -- Glass, toughened -- Glass, vitroceramic -- Gold -- Granite -- Honeycombs -- Horn -- Ivory -- Lacquer -- Laminated timber, glued -- Laminates -- Laser -- Latheboard or coreboard -- Lead -- LED -- LED, O-, P-, PHO- -- Light source, discharge fluorescent -- Light source, halogen incandescent -- Light source, sodium mercury discharge -- Light source, standard incandescent -- Limestone -- Liquidmetal® -- Lithium -- Magnesium -- Magnetic materials -- Marble -- MDF -- Mercury -- Metamaterials -- Mirrors -- Mortar -- Nacre -- Non-Newtonian fluids -- Nubuck-buckskin-suede -- Oriented strand-board -- Paper -- Parchment -- Phosphorescence-fluorescence -- Photovoltaic cell -- Piezoelectric materials -- Plaster -- Plywood -- Plywood, moulded -- Polyamide -- Polycarbonate -- Polyester -- Polymethyl methacrylate -- Polyoxymethylene -- Polypropylene -- Polystyrene -- Polytetrafluorethylene -- Polyurethane -- Polyvinal chloride -- Precious stones -- Rare earths -- Rubber-latex -- Ruby & sapphire -- Sandstone -- Schist -- Semiconductors -- Shape memory alloys -- Sharkskin or shagreen -- Shell -- Silicon -- Silicone -- Silver -- Solid surfaces -- Superconductors -- Stainless steel -- Steels -- Thermoplastic elastomers -- Tin -- Titanium -- Veneer -- Wood polymers -- Wood, retified -- Wood species -- XX-chromatic -- Zamak alloys -- Zinc -- Processes. …”
An electronic book accessible through the World Wide Web; click to view

Les collections des arts du spectacle et leur traitement

Table of Contents: “…/ Claudia Balk and Petra Kraus -- Barry Russell : CESAR's standard-bearer / Anastassia Sakhnovskaia and Mark Bannister -- Performing art libraries at Düsseldorf : their role in the field of introducing computer-based information management within the theatre museum and the film museum / Margret Schild -- The Matriz software implemented to the collections of the National Theatre Museum of Portugal / Jose Carlos Alvarez -- Traitement informatique des collections relatives au Festival d'Avignon : présentation du catalogage informatisé dans la base OPALINE du Département des Arts du spectacle de la Bibliothéque nationale de France, a partir de l'exemple du Festival d'Avignon / Marie-Claude Billard -- Les arts du spectacle en Roumanie / Anisoara Burlacu, Camelia Savu.…”
An electronic book accessible through the World Wide Web; click to view

Psychopathology history, diagnosis, and empirical foundations / by Craighead, W. Edward

An electronic book accessible through the World Wide Web; click to view

The new neighborhood senior center : redefining social and service roles for the baby boom generation / by Weil, Joyce

An electronic book accessible through the World Wide Web; click to view

Materiology : the creatives guide to materials and technologies / by Kula, Daniel, Ternaux, Elodie

Table of Contents: “…Acrylonitrile butadiene styrene -- Aerogels -- Alucobond® -- Aluminum -- Asphalt -- Basalt, melted and lava -- Bakelite -- Bamboo -- Biopolymers -- Brass -- Bronze -- Burrs -- Carbon -- Cardboard -- Cast iron -- Cellulose acetate -- Ceramic, architectural -- Ceramic, technical -- Ceramic, traditional -- Chipboard -- Concretes, conventional -- Concretes, fibre -- Concrete, high performance -- Copper -- Cork -- Crystal -- Diamond -- Electroluminescence -- Emerald -- Epoxy or epoxides polyepoxides -- Felt -- Fibres, artificial -- Fibres, carbon, aramid, basalt -- Fibres, glass -- Fibres of animal origin -- Fibres of vegetable origin -- Fibres, synthetic -- Foams -- Full grain leather -- Fur -- Gallium -- Glass, 3D -- Glass, borosilicate -- Glass, coated -- Glass, security-safety -- Glass, toughened -- Glass, vitroceramic -- Gold -- Granite -- Honeycombs -- Horn -- Ivory -- Lacquer -- Laminated timber, glued -- Laminates -- Laser -- Latheboard or coreboard -- Lead -- LED -- LED, O-, P-, PHO- -- Light source, discharge fluorescent -- Light source, halogen incandescent -- Light source, sodium mercury discharge -- Light source, standard incandescent -- Limestone -- Liquidmetal® -- Lithium -- Magnesium -- Magnetic materials -- Marble -- MDF -- Mercury -- Metamaterials -- Mirrors -- Mortar -- Nacre -- Non-Newtonian fluids -- Nubuck-buckskin-suede -- Oriented strand-board -- Paper -- Parchment -- Phosphorescence-fluorescence -- Photovoltaic cell -- Piezoelectric materials -- Plaster -- Plywood -- Plywood, moulded -- Polyamide -- Polycarbonate -- Polyester -- Polymethyl methacrylate -- Polyoxymethylene -- Polypropylene -- Polystyrene -- Polytetrafluorethylene -- Polyurethane -- Polyvinal chloride -- Precious stones -- Rare earths -- Rubber-latex -- Ruby & sapphire -- Sandstone -- Schist -- Semiconductors -- Shape memory alloys -- Sharkskin or shagreen -- Shell -- Silicon -- Silicone -- Silver -- Solid surfaces -- Superconductors -- Stainless steel -- Steels -- Thermoplastic elastomers -- Tin -- Titanium -- Veneer -- Wood polymers -- Wood, retified -- Wood species -- XX-chromatic -- Zamak alloys -- Zinc -- Processes. …”
An electronic book accessible through the World Wide Web; click to view

Slovakia in history

An electronic book accessible through the World Wide Web; click to view

Jamaica's Difficult Subjects : Negotiating Sovereignty in Anglophone Caribbean Literature and Criticism / by Harrison, Sheri-Marie, 1979-

Full text available:

American Power and International Theory at the Council on Foreign Relations, 1953-54 /

Full text available:

Computational quantum chemistry an interactive guide to basis set theory / by Quinn, Charles M.

Table of Contents: “…Machine generated contents note: 1 Essential atomic orbital theory -- 11 Atomic orbitals for the hydrogen atom -- 12 Radial distribution functions for the hydrogen atom -- 13 Radial wave functions for many-electron atoms -- 14 Slater-type orbitals -- 15 Gaussian-type functions-the Isto-3g) minimal basis set -- 16 isto-ng) basis sets -- 17 Scaling factors -- 18 The (4s/2s) basis set, polarization and scaling factors for molecular -- environments -- 19 Gaussian-lobe and other Gaussian basis sets -- 2 Numerical integration -- 21 Numerical integration -- 22 Application of Simpson's rule to calculate a normalization integral -- 23 Calculations of normalization constants over the angular coordinates -- 24 Numerical integration in a cylindrical volume: diatomic and linear -- molecular geometries -- 25 Calculation of the overlap integral between Is orbitals in a Gaussian -- basis -- 26 Designing Gaussian basis sets to model Slater orbitals -- 3 Orthonormality -- 31 Orthonormality in Slater orbital and basis set theory -- 32 Orthonormality and Slater orbitals -- 33 Orthonormality and Gaussian orbitals -- 34 Orthonormality and double-zeta Slater orbitals -- 35 Orthonormality and split-basis or double-zeta Gaussian basis sets -- 36 The Jacobi transformation, diagonalization of a symmetric matrix and -- canonical orthogonalization -- 37 The S-1/2 'trick' -- 38 Symmetric orthonormalization -- 4 The hydrogen atom -numerical solutions -- 41 Eigenvalue calculations for hydrogen based on analytical functions -- 42 Calculations using Slater orbitals -- 43 Calculations with Gaussian functions -- 44 Calculations with split-basis [split-valence] sets -- 45 Review of results for the ls and 2s orbital energies in hydrogen -- 5 The helium atom and the self-consistent field -- 51 Hartree's analysis of the helium atom problem -- 52 Calculations with modified hydrogen atom wave functions -- 53 The Hall-Roothaan equations, the orbital approximation and -- the modem Hartree-Fock self-consistent field method -- 54 Calculations using Slater DZ functions -- 55 Gaussian basis set calculations for the helium atom-two-electron -- integrals over Gaussian basis functions -- 56 A HFS-SCF calculation with split-basis 14-31) for helium -- 57 Helium, singlet and triplet excited states, electron spin and the role -- of the Exchange integral -- 6 One- and two-electron diatoms -- 61 Calculations using hydrogen Is orbitals -- 62 Sto-3g calculations for H2+ -- 63 Calculations using Gaussian basis sets with the exact evaluation of -- integrals using Fourier transforms -- 64 Calculations involving the two-electron terms; the Isto-3g) -- HF-SCF results for dihydrogen -- 65 The standard form for the results of HFS-SCF calculations -- 66 The Isto-3g) HFS-SCF calculation for HeH+ -- 67 Polarization functions, Gaussian lobes and higher-order Gaussian -- basis sets -- 68 Epilogue.…”
An electronic book accessible through the World Wide Web; click to view

Advanced endovascular therapy of aortic disease

Table of Contents: “….] -- Traumatic disruption of the aorta / Ross Milner, Karthik Kasirajan, and Elliot Chaikof -- Should endovascular repair be considered the standard treatment in traumatic thoracic aortic injury? …”
An electronic book accessible through the World Wide Web; click to view

Slovakia in history

An electronic book accessible through the World Wide Web; click to view

Jamaica's Difficult Subjects : Negotiating Sovereignty in Anglophone Caribbean Literature and Criticism / by Harrison, Sheri-Marie, 1979-

Full text available:

American Power and International Theory at the Council on Foreign Relations, 1953-54 /

Full text available:

Global promise quality assurance and accountability in professional psychology /

Table of Contents: “…Leon Smith -- Codes of ethics, conduct, and standards as vehicles of accountability / Pierre L.…”
An electronic book accessible through the World Wide Web; click to view