Smart membranes and sensors. synthesis, characterization, by Annarosa Gugliuzza

By Annarosa Gugliuzza

This publication enables the entry to many of the disciplines, highlighting their many issues of contacts and making the transparent the message that membrane-based sensors symbolize the way forward for the study in each box, together with chemistry, biology, biomedicine, textiles, and electronics.

Show description

By Annarosa Gugliuzza

This publication enables the entry to many of the disciplines, highlighting their many issues of contacts and making the transparent the message that membrane-based sensors symbolize the way forward for the study in each box, together with chemistry, biology, biomedicine, textiles, and electronics.

Show description

Continue reading "Smart membranes and sensors. synthesis, characterization, by Annarosa Gugliuzza"

Molecular Electronic-Structure Theory by Trygve Helgaker

By Trygve Helgaker

This is often the 1st accomplished, updated and technical paintings to hide the entire vital facets of contemporary molecular electronic-structure thought. themes coated within the ebook include:
- moment quantization with spin adaptation
- Gaussian foundation units and molecular-integral evaluation
- Hartree-Fock theory
- Configuration-interaction and multi-configurational self-consistent theory
- Coupled-cluster idea for floor and excited states
- Perturbation concept for unmarried- and multi-configurational states
- Linear-scaling strategies and the quick multipole method
- Explicity correlated wave functions
- Basis-set convergence and extrapolation
- Calibration and benchmarking of computational tools, with functions to moelcular equilibrium constitution, atomization energies and response enthalpies.
Molecular Electronic-Structure thought makes vast use of numerical examples, designed to demonstrate the strengths and weaknesses of every strategy handled. additionally, statements in regards to the usefulness and deficiencies of a number of the equipment are supported via genuine examples, not only version calculations. difficulties and routines are supplied on the finish of every bankruptcy, whole with tricks and solutions.
This booklet is a needs to for researchers within the box of quantum chemistry in addition to for nonspecialists who desire to collect an intensive realizing of ab initio molecular electronic-structure idea and its functions to difficulties in chemistry and physics. it's also hugely urged for the educating of graduates and complicated undergraduates.

Show description

By Trygve Helgaker

This is often the 1st accomplished, updated and technical paintings to hide the entire vital facets of contemporary molecular electronic-structure thought. themes coated within the ebook include:
- moment quantization with spin adaptation
- Gaussian foundation units and molecular-integral evaluation
- Hartree-Fock theory
- Configuration-interaction and multi-configurational self-consistent theory
- Coupled-cluster idea for floor and excited states
- Perturbation concept for unmarried- and multi-configurational states
- Linear-scaling strategies and the quick multipole method
- Explicity correlated wave functions
- Basis-set convergence and extrapolation
- Calibration and benchmarking of computational tools, with functions to moelcular equilibrium constitution, atomization energies and response enthalpies.
Molecular Electronic-Structure thought makes vast use of numerical examples, designed to demonstrate the strengths and weaknesses of every strategy handled. additionally, statements in regards to the usefulness and deficiencies of a number of the equipment are supported via genuine examples, not only version calculations. difficulties and routines are supplied on the finish of every bankruptcy, whole with tricks and solutions.
This booklet is a needs to for researchers within the box of quantum chemistry in addition to for nonspecialists who desire to collect an intensive realizing of ab initio molecular electronic-structure idea and its functions to difficulties in chemistry and physics. it's also hugely urged for the educating of graduates and complicated undergraduates.

Show description

Continue reading "Molecular Electronic-Structure Theory by Trygve Helgaker"

Design, Fabrication and Electrochemical Performance of by Guangmin Zhou

By Guangmin Zhou

This publication makes a speciality of the layout, fabrication and functions of carbon-based fabrics for lithium-sulfur (Li-S) batteries. It offers insights into the localized electrochemical transition of the “solid-solid” response rather than the “sulfur-polysulfides-lithium sulfides” response in the course of the desolvation impact in subnanometer pores; demonstrates that the dissolution/diffusion of polysulfide anions in electrolyte could be vastly diminished by means of the robust binding of sulfur to the oxygen-containing teams on decreased graphene oxide;manifests that graphene foam can be utilized as a 3D present collector for prime sulfur loading and excessive sulfur content material cathodes; and offers the layout of a special sandwich constitution with natural sulfur among graphene membranes as a very easy yet potent method of the fabrication of Li-S batteries with ultrafast charge/discharge charges and lengthy carrier lives.

The booklet bargains a useful source for researchers, scientists, and engineers within the box of strength garage, offering crucial insights, invaluable tools, and functional principles that may be thought of for the economic construction and destiny software of Li-S batteries.

Show description

By Guangmin Zhou

This publication makes a speciality of the layout, fabrication and functions of carbon-based fabrics for lithium-sulfur (Li-S) batteries. It offers insights into the localized electrochemical transition of the “solid-solid” response rather than the “sulfur-polysulfides-lithium sulfides” response in the course of the desolvation impact in subnanometer pores; demonstrates that the dissolution/diffusion of polysulfide anions in electrolyte could be vastly diminished by means of the robust binding of sulfur to the oxygen-containing teams on decreased graphene oxide;manifests that graphene foam can be utilized as a 3D present collector for prime sulfur loading and excessive sulfur content material cathodes; and offers the layout of a special sandwich constitution with natural sulfur among graphene membranes as a very easy yet potent method of the fabrication of Li-S batteries with ultrafast charge/discharge charges and lengthy carrier lives.

The booklet bargains a useful source for researchers, scientists, and engineers within the box of strength garage, offering crucial insights, invaluable tools, and functional principles that may be thought of for the economic construction and destiny software of Li-S batteries.

Show description

Continue reading "Design, Fabrication and Electrochemical Performance of by Guangmin Zhou"

A Matter of Density: Exploring the Electron Density Concept by N. Sukumar

By N. Sukumar

The origins and value of electron density within the chemical, organic, and fabrics sciences

Electron density is likely one of the basic suggestions underlying sleek chemistry and one of many key determinants of molecular constitution and balance. it's also the elemental variable of density practical thought, which has made attainable, lately, the applying of the mathematical concept of quantum physics to chemical and organic systems.

With an equivalent emphasis on computational and philosophical questions, A subject of Density: Exploring the Electron Density thought within the Chemical, organic, and fabrics Sciences addresses the principles, research, and purposes of this pivotal chemical suggestion. the 1st a part of the publication offers a coherent and logically attached therapy of the theoretical foundations of the electron density proposal. dialogue comprises using percentages in statistical physics; the origins of quantum mechanics; the philosophical questions on the center of quantum concept, like quantum entanglement; and strategies for the experimental selection of electron density distributions.

The rest of the ebook bargains with functions of the electron density proposal within the chemical, organic, and fabrics sciences. individuals supply insights on how a deep figuring out of the origins of chemical reactivity may be gleaned from the thoughts of density sensible thought. additionally mentioned are the functions of electron density in molecular similarity research and electron density-derived molecular descriptors, comparable to electrostatic potentials and native ionization energies. This part concludes with a few functions of contemporary density useful thought to surfaces and interfaces.

An crucial reference for college kids in addition to quantum and computational chemists, actual chemists, and physicists, this ebook bargains an unprecedented examine the advance of the concept that of electron density from its inception to its position in density sensible thought, which resulted in the 1998 Nobel Prize in Chemistry.

Show description

By N. Sukumar

The origins and value of electron density within the chemical, organic, and fabrics sciences

Electron density is likely one of the basic suggestions underlying sleek chemistry and one of many key determinants of molecular constitution and balance. it's also the elemental variable of density practical thought, which has made attainable, lately, the applying of the mathematical concept of quantum physics to chemical and organic systems.

With an equivalent emphasis on computational and philosophical questions, A subject of Density: Exploring the Electron Density thought within the Chemical, organic, and fabrics Sciences addresses the principles, research, and purposes of this pivotal chemical suggestion. the 1st a part of the publication offers a coherent and logically attached therapy of the theoretical foundations of the electron density proposal. dialogue comprises using percentages in statistical physics; the origins of quantum mechanics; the philosophical questions on the center of quantum concept, like quantum entanglement; and strategies for the experimental selection of electron density distributions.

The rest of the ebook bargains with functions of the electron density proposal within the chemical, organic, and fabrics sciences. individuals supply insights on how a deep figuring out of the origins of chemical reactivity may be gleaned from the thoughts of density sensible thought. additionally mentioned are the functions of electron density in molecular similarity research and electron density-derived molecular descriptors, comparable to electrostatic potentials and native ionization energies. This part concludes with a few functions of contemporary density useful thought to surfaces and interfaces.

An crucial reference for college kids in addition to quantum and computational chemists, actual chemists, and physicists, this ebook bargains an unprecedented examine the advance of the concept that of electron density from its inception to its position in density sensible thought, which resulted in the 1998 Nobel Prize in Chemistry.

Show description

Continue reading "A Matter of Density: Exploring the Electron Density Concept by N. Sukumar"

Photochemistry. Volume 42 by Angelo Albini; E Fasani; Royal Society of Chemistry (Great

By Angelo Albini; E Fasani; Royal Society of Chemistry (Great Britain)

Reviewing photo-induced procedures that experience relevance to a wide-ranging variety of educational and advertisement disciplines and pursuits protecting chemistry, physics, biology and expertise, this sequence is vital examining for a person wishing to maintain abreast of the present literature. Now in its forty second quantity, and with contributions from around the globe, this sequence maintains to provide an available digest of present opinion and learn in all facets of photochemistry.

Topics coated during this quantity contain the state-of-the-art in computational photochemistry, advances in dye sensitized photopolymerization methods, photoclick chemistry, and non-stop circulate photochemical reactions.

This Specialist Periodical Report offers severe and accomplished reports of the final yr of the first literature (drawing on 100's of citations) and is a necessary source for someone operating on the leading edge of photochemistry and a gateway to rookies within the field.

Show description

By Angelo Albini; E Fasani; Royal Society of Chemistry (Great Britain)

Reviewing photo-induced procedures that experience relevance to a wide-ranging variety of educational and advertisement disciplines and pursuits protecting chemistry, physics, biology and expertise, this sequence is vital examining for a person wishing to maintain abreast of the present literature. Now in its forty second quantity, and with contributions from around the globe, this sequence maintains to provide an available digest of present opinion and learn in all facets of photochemistry.

Topics coated during this quantity contain the state-of-the-art in computational photochemistry, advances in dye sensitized photopolymerization methods, photoclick chemistry, and non-stop circulate photochemical reactions.

This Specialist Periodical Report offers severe and accomplished reports of the final yr of the first literature (drawing on 100's of citations) and is a necessary source for someone operating on the leading edge of photochemistry and a gateway to rookies within the field.

Show description

Continue reading "Photochemistry. Volume 42 by Angelo Albini; E Fasani; Royal Society of Chemistry (Great"

Advances in Chemical Physics Vol. 121 by Ilya Prigogine, Stuart A. Rice

By Ilya Prigogine, Stuart A. Rice

The Advances in Chemical Physics sequence presents the chemical physics box with a discussion board for severe, authoritative reviews of advances in each sector of the self-discipline. quantity 121 comprises the newest learn on polymer melts at stable surfaces, infrared lineshapes of susceptible hydrogen bonds, ab initio quantum molecular dynamics, and plenty of different matters.

Show description

By Ilya Prigogine, Stuart A. Rice

The Advances in Chemical Physics sequence presents the chemical physics box with a discussion board for severe, authoritative reviews of advances in each sector of the self-discipline. quantity 121 comprises the newest learn on polymer melts at stable surfaces, infrared lineshapes of susceptible hydrogen bonds, ab initio quantum molecular dynamics, and plenty of different matters.

Show description

Continue reading "Advances in Chemical Physics Vol. 121 by Ilya Prigogine, Stuart A. Rice"

Emulsion Science and Technology by Tharwat F. Tadros

By Tharwat F. Tadros

Highlighting fresh advancements in addition to destiny demanding situations, this ebook covers a wealth of subject matters from Stabilization of Emulsions to Nanocomposites to Sensory homes of beauty Emulsions.

Show description

By Tharwat F. Tadros

Highlighting fresh advancements in addition to destiny demanding situations, this ebook covers a wealth of subject matters from Stabilization of Emulsions to Nanocomposites to Sensory homes of beauty Emulsions.

Show description

Continue reading "Emulsion Science and Technology by Tharwat F. Tadros"

Molecules and radiation : an introduction to modern by Jeffrey I. Steinfeld

By Jeffrey I. Steinfeld

This unified remedy introduces upper-level undergraduates and graduate scholars to the innovations and strategies of recent molecular spectroscopy and their purposes to quantum electronics, lasers, and similar optical phenomena.
Starting with a evaluation of the prerequisite quantum mechanical heritage, the textual content examines atomic spectra and diatomic molecules, together with the rotation and vibration of diatomic molecules and their digital spectra. A dialogue of rudimentary workforce conception advances to issues of the rotational spectra of polyatomic molecules and their vibrational and digital spectra; molecular beams, masers, and lasers; and numerous varieties of spectroscopy, together with optical resonance spectroscopy, coherent temporary spectroscopy, multiple-photon spectroscopy, and spectroscopy past molecular constants. The textual content concludes with a sequence of necessary appendixes.

Show description

By Jeffrey I. Steinfeld

This unified remedy introduces upper-level undergraduates and graduate scholars to the innovations and strategies of recent molecular spectroscopy and their purposes to quantum electronics, lasers, and similar optical phenomena.
Starting with a evaluation of the prerequisite quantum mechanical heritage, the textual content examines atomic spectra and diatomic molecules, together with the rotation and vibration of diatomic molecules and their digital spectra. A dialogue of rudimentary workforce conception advances to issues of the rotational spectra of polyatomic molecules and their vibrational and digital spectra; molecular beams, masers, and lasers; and numerous varieties of spectroscopy, together with optical resonance spectroscopy, coherent temporary spectroscopy, multiple-photon spectroscopy, and spectroscopy past molecular constants. The textual content concludes with a sequence of necessary appendixes.

Show description

Continue reading "Molecules and radiation : an introduction to modern by Jeffrey I. Steinfeld"