國立高雄大學圖資館 |

登入

回首頁

Applications of theoretical methods in vibrational spectroscopyquantum/classical mixed approach /

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Applications of theoretical methods in vibrational spectroscopyby Shoichi Yamaguchi.
其他題名:	quantum/classical mixed approach /
作者:	Yamaguchi, Shoichi.
出版者:	Singapore :Springer Nature Singapore :2025.
面頁冊數:	xvi, 232 p. :ill., digital ;24 cm.
Contained By:	Springer Nature eBook
標題:	Theoretical Chemistry.
電子資源:	https://doi.org/10.1007/978-981-96-4628-9
ISBN:	9789819646289$q(electronic bk.)

Applications of theoretical methods in vibrational spectroscopyquantum/classical mixed approach /
Yamaguchi, Shoichi.

Applications of theoretical methods in vibrational spectroscopyquantum/classical mixed approach /[electronic resource] :by Shoichi Yamaguchi. - Singapore :Springer Nature Singapore :2025. - xvi, 232 p. :ill., digital ;24 cm. - Lecture notes in chemistry,v. 1142192-6603 ;. - Lecture notes in chemistry ;v.78..

Basic physics for vibrational spectroscopy: electromagnetism -- Basic physics for vibrational spectroscopy: quantum mechanics -- Quantum/classical mixed approach: construction of vibrational Hamiltonian -- Quantum/classical mixed approach: computation of vibrational spectra.

This book provides unique introduction for experimentalists to theoretically calculate vibrational (IR, Raman, SFG) spectra of molecules in liquid and solid phases. Vibrational spectroscopy is the most popular and valuable tool for scientists to obtain physicochemical insight into complex molecular systems. Although standard softwares of quantum chemistry calculations routinely provide predictions of spectra, this book describes dynamic aspects and spectroscopic accuracy enough to compare our experimental data directly to computations, that lack in the softwares. The quantum/classical mixed approach presented in this book allows researchers including graduate students of chemistry and physics to extract microscopic information of structure and dynamics from their vibrational spectroscopic experimental data with no help from theoreticians.

ISBN: 9789819646289$q(electronic bk.)

Standard No.: 10.1007/978-981-96-4628-9doiSubjects--Topical Terms:

915035
Theoretical Chemistry.

LC Class. No.: QC454.V5

Dewey Class. No.: 539.6

Applications of theoretical methods in vibrational spectroscopyquantum/classical mixed approach /
LDR:02222nmm a2200337 a 4500 001 685773
003 DE-He213
005 20250901130500.0
006 m d
007 cr nn 008maaau
008 260209s2025 si s 0 eng d
020 $a 9789819646289$q(electronic bk.)
020 $a 9789819646272$q(paper)
024 7 $a 10.1007/978-981-96-4628-9 $2 doi
035 $a 978-981-96-4628-9
040 $a GP $c GP
041 0 $a eng
050 4 $a QC454.V5
072 7 $a PNFS $2 bicssc
072 7 $a SCI013050 $2 bisacsh
072 7 $a PNFS $2 thema
082 0 4 $a 539.6 $2 23
090 $a QC454.V5 $b Y19 2025
100 1 $a Yamaguchi, Shoichi. $3 999929
245 1 0 $a Applications of theoretical methods in vibrational spectroscopy $h [electronic resource] : $b quantum/classical mixed approach / $c by Shoichi Yamaguchi.
260 $a Singapore : $b Springer Nature Singapore : $b Imprint: Springer, $c 2025.
300 $a xvi, 232 p. : $b ill., digital ; $c 24 cm.
490 1 $a Lecture notes in chemistry, $x 2192-6603 ; $v v. 114
505 0 $a Basic physics for vibrational spectroscopy: electromagnetism -- Basic physics for vibrational spectroscopy: quantum mechanics -- Quantum/classical mixed approach: construction of vibrational Hamiltonian -- Quantum/classical mixed approach: computation of vibrational spectra.
520 $a This book provides unique introduction for experimentalists to theoretically calculate vibrational (IR, Raman, SFG) spectra of molecules in liquid and solid phases. Vibrational spectroscopy is the most popular and valuable tool for scientists to obtain physicochemical insight into complex molecular systems. Although standard softwares of quantum chemistry calculations routinely provide predictions of spectra, this book describes dynamic aspects and spectroscopic accuracy enough to compare our experimental data directly to computations, that lack in the softwares. The quantum/classical mixed approach presented in this book allows researchers including graduate students of chemistry and physics to extract microscopic information of structure and dynamics from their vibrational spectroscopic experimental data with no help from theoreticians.
650 2 4 $a Theoretical Chemistry. $3 915035
650 2 4 $a Computational Chemistry. $3 924784
650 0 $a Vibrational spectra. $3 193611
650 1 4 $a Spectroscopy. $3 737192
650 2 4 $a Molecular Spectroscopy. $3 923776
650 2 4 $a Atomic, Molecular and Chemical Physics. $3 913484
650 2 4 $a Surfaces, Interfaces and Thin Film. $3 920202
710 2 $a SpringerLink (Online service) $3 273601
773 0 $t Springer Nature eBook
830 0 $a Lecture notes in chemistry ; $v v.78. $3 557976
856 4 0 $u https://doi.org/10.1007/978-981-96-4628-9
950 $a Chemistry and Materials Science (SpringerNature-11644)