東華大學圖書館 |

語系: 繁體中文

說明(常見問題)

回圖書館首頁

手機版館藏查詢

登入

回首頁

切換: 標籤 | MARC模式 | ISBD

Computational photochemistry

Olivucci, M.

FindBook

Google Book

Amazon

博客來

Computational photochemistry

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Computational photochemistry/ edited by M. Olivucci.{me_controlnum}
其他作者:	Olivucci, M.
出版者:	Amsterdam ;Elsevier, : 2005.,
面頁冊數:	1 online resource (xv, 352 p.) :ill.
附註:	Erratum slip inserted.
內容註:	I. Computational. -- -- II. Ab initio Methods for Excited States. -- -- III. Density Functional Methods for Excited States: Equilibrium Structure and Electronic Spectra. -- IV. Electronic and Vibronic Spectra of Molecular Systems: Models and Simulations based on Quantum Chemically Computed Molecular Parameters. -- V. Semiclassical Nonadiabatic Trajectory Computations In Photochemistry: Is The Reaction Path Enough To Understand A Photochemical Reaction Mechanism? -- VI. Computation of Photochemical Reaction Mechanisms in Organic Chemistry. -- VII. Computation of Reaction Mechanisms and Dynamics in Photobiology. -- VIII. Development of Theory with Computation. -- IX. Calculation of Electronic Spectra of Transition Metal Complexes. -- -- X. Perspectives in Calculations on Excited State in Molecular Systems.
標題:	Photochemistry - Mathematics. -
電子資源:	http://www.sciencedirect.com/science/book/9780444521101
ISBN:	9780444521101

Computational photochemistry
Computational photochemistry[electronic resource] /edited by M. Olivucci.{me_controlnum} - 1st ed. - Amsterdam ;Elsevier,2005. - 1 online resource (xv, 352 p.) :ill. - Theoretical and computational chemistry,161380-7323 ;. - Theoretical and computational chemistry ;16..

Erratum slip inserted.

Includes bibliographical references and index.

I. Computational. -- -- II. <IT>Ab initio</IT> Methods for Excited States. -- -- III. Density Functional Methods for Excited States: Equilibrium Structure and Electronic Spectra. -- IV. Electronic and Vibronic Spectra of Molecular Systems: Models and Simulations based on Quantum Chemically Computed Molecular Parameters. -- V. Semiclassical Nonadiabatic Trajectory Computations In Photochemistry: Is The Reaction Path Enough To Understand A Photochemical Reaction Mechanism? -- VI. Computation of Photochemical Reaction Mechanisms in Organic Chemistry. -- VII. Computation of Reaction Mechanisms and Dynamics in Photobiology. -- VIII. Development of Theory with Computation. -- IX. Calculation of Electronic Spectra of Transition Metal Complexes. -- -- X. Perspectives in Calculations on Excited State in Molecular Systems.

Computational Photochemistry, Volume 16 provides an overview of general strategies currently used to investigate photochemical processes. Whilst contributing to establishing a branch of computational chemistry that deals with the properties and reactivity of photoexcited molecules, the book also provides insight into the conceptual and methodological research lines in computational photochemistry. Packed with examples of applications of modelling of basic photochemical reactions and the computer-aided development of novel materials in the field of photodegradation (paints), photoprotection (sunscreens), color regulation (photochromic devices) and fluorescent probes, this book is particularly useful to anyone interested in the effect of light on molecules and materials. * Provides an overview of computational photochemistry, dealing with principles and applications * Demonstrates techniques that can be used in the computer-aided design of novel photo responsive materials * Written by experts in computational photochemistry.

ISBN: 9780444521101

Source: 102372:102390Elsevier Science & Technologyhttp://www.sciencedirect.comSubjects--Topical Terms:

621042
Photochemistry
--Mathematics.Index Terms--Genre/Form:

542853
Electronic books.

LC Class. No.: QD715 / .C66 2005eb

Dewey Class. No.: 541/.35/0151

National Agricultural Library Call No.: QD715 / .C66 2005

Computational photochemistry
LDR:03172cmm 2200337Ia 4500 001 1325617
005 20120813091143.0
006 m d
007 cr cn|||||||||
008 130122s2005 ne a ob 001 0 eng d
020 $a 9780444521101
020 $a 0444521100
029 1 $a NZ1 $b 12434340
035 $a ocn162129978
037 $a 102372:102390 $b Elsevier Science & Technology $n http://www.sciencedirect.com
040 $a OPELS $b eng $c OPELS $d OCLCG $d OPELS $d OCLCQ
049 $a NTYA
050 4 $a QD715 $b .C66 2005eb
070 $a QD715 $b .C66 2005
082 0 4 $a 541/.35/0151 $2 22
245 0 0 $a Computational photochemistry $h [electronic resource] / $c edited by M. Olivucci.{me_controlnum}
250 $a 1st ed.
260 $a Amsterdam ; $a Boston : $b Elsevier, $c 2005.
300 $a 1 online resource (xv, 352 p.) : $b ill.
490 1 $a Theoretical and computational chemistry, $x 1380-7323 ; $v 16
500 $a Erratum slip inserted.
504 $a Includes bibliographical references and index.
505 0 $a I. Computational. -- -- II. <IT>Ab initio</IT> Methods for Excited States. -- -- III. Density Functional Methods for Excited States: Equilibrium Structure and Electronic Spectra. -- IV. Electronic and Vibronic Spectra of Molecular Systems: Models and Simulations based on Quantum Chemically Computed Molecular Parameters. -- V. Semiclassical Nonadiabatic Trajectory Computations In Photochemistry: Is The Reaction Path Enough To Understand A Photochemical Reaction Mechanism? -- VI. Computation of Photochemical Reaction Mechanisms in Organic Chemistry. -- VII. Computation of Reaction Mechanisms and Dynamics in Photobiology. -- VIII. Development of Theory with Computation. -- IX. Calculation of Electronic Spectra of Transition Metal Complexes. -- -- X. Perspectives in Calculations on Excited State in Molecular Systems.
520 $a Computational Photochemistry, Volume 16 provides an overview of general strategies currently used to investigate photochemical processes. Whilst contributing to establishing a branch of computational chemistry that deals with the properties and reactivity of photoexcited molecules, the book also provides insight into the conceptual and methodological research lines in computational photochemistry. Packed with examples of applications of modelling of basic photochemical reactions and the computer-aided development of novel materials in the field of photodegradation (paints), photoprotection (sunscreens), color regulation (photochromic devices) and fluorescent probes, this book is particularly useful to anyone interested in the effect of light on molecules and materials. * Provides an overview of computational photochemistry, dealing with principles and applications * Demonstrates techniques that can be used in the computer-aided design of novel photo responsive materials * Written by experts in computational photochemistry.
588 $a Description based on print version record.
650 0 $a Photochemistry $x Mathematics. $3 621042
650 0 $a Photochemistry $x Data processing. $3 621043
655 4 $a Electronic books. $2 lcsh $3 542853
700 1 $a Olivucci, M. $q (Massimo) $3 1613422
776 0 8 $i Print version: $t Computational photochemistry. $b 1st ed. $d Amsterdam ; Boston : Elsevier, 2005 $z 9780444521101 $z 0444521100 $w (DLC) 2005044948 $w (OCoLC)61295977
830 0 $a Theoretical and computational chemistry ; $v 16. $x 1380-7323 $3 1613423
856 4 0 $3 ScienceDirect $u http://www.sciencedirect.com/science/book/9780444521101