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Recent advances of the fragment molecular orbital method : enhanced performance and applicability

Recent advances of the fragment molecular orbital method : enhanced performance and applicability
Paper図書
Yuji Mochizuki, Shigenori Tanaka, Kaori Fukuzawa, editorsSpringer[2021]<PA47-D10>
National Diet Library
  • Contents...Combination of Molecular Orbitals of Fragments (FMO-LCMO) Metho...
  • Subject HeadingMolecular orbitals--Mathematical models Quantum ...

Multi-component molecular orbital theory

Multi-component molecular orbital theory
Paper図書
Taro Udagawa and Masanori Tachikawa.Nova Science Publishers, Inc.[2009]<PA47-B48>
National Diet Library
  • Subject HeadingMolecular orbitals.

Quantum chemistry of solids : LCAO treatment of crystals and nanostructures Second edition. (Springer series in solid-state sciences ; 153)

Quantum chemistry of solids : LCAO treatment of crystals and nanostructures Second edition. (Springer series in solid-state sciences ; 153)
Paper図書
Robert A. Evarestov.Springer[2012]<PA47-B45>
National Diet Library
  • Subject HeadingQuantum chemistry--Mathematics. Molecular orbitals. Atomic orbitals.

The fragment molecular orbital method : practical applications to large molecular systems / edited by Dmitri Fedorov, Kazuo Kitaura.

The fragment molecular orbital method : practical applications to large molecular systems / edited by Dmitri Fedorov, Kazuo Kitaura.
Paper図書
CRC Pressc2009.<YU111-B1045>
National Diet Library
  • Subject HeadingMolecular orbitals. Macromolecules. Biomolecules...

The DV-Xα molecular-orbital calculation method

The DV-Xα molecular-orbital calculation method
Paper図書
Tomohiko Ishii, Hisanobu Wakita, Kazuyoshi Ogasawara, Yang-Soo Kim, editors.Springer[2015]<PA47-B67>
National Diet LibraryOther Libraries in Japan
  • Subject HeadingMolecular orbitals--Mathematical models. Theoret...

分子軌道法 オンデマンド版 (化学新シリーズ)

分子軌道法 オンデマンド版 (化学新シリーズ)
Paper図書
廣田穰 著裳華房2020.2<PA47-M9>
National Diet LibraryOther Libraries in Japan
  • Authority（Subject Heading/altLabel）分子軌道関数 分子軌道関数法 MO法 Molecular orbitals

Complete guide to the fragment molecular orbital method in GAMESS : from one atom to a million, at your service

Complete guide to the fragment molecular orbital method in GAMESS : from one atom to a million, at your service
Paper図書
Dmitri G. FedorovWorld Scientific Publishingc2023
Other Libraries in Japan
  • Subject HeadingComputational chemistry Molecular orbitals Computational chemistry.GBC32...
  • Subject Heading (ID)Computational chemistry Molecular orbitals Computational chemistry.GBC32...

量子材料化学の基礎

量子材料化学の基礎
Paper図書
足立裕彦 著三共出版2017.5<PA47-L83>
National Diet LibraryOther Libraries in Japan
  • Authority（Subject Heading/altLabel）分子軌道関数 分子軌道関数法 MO法 Molecular orbitals

分子軌道法 : 定性的MO法で化学を考える

分子軌道法 : 定性的MO法で化学を考える
Paper図書
友田修司 著東京大学出版会2017.1<PA47-L69>
National Diet LibraryOther Libraries in Japan
  • Authority（Subject Heading/altLabel）分子軌道関数 分子軌道関数法 MO法 Molecular orbitals

Orbitals : with applications in atomic spectra Rev. ed

Orbitals : with applications in atomic spectra Rev. ed
Paper図書
Charles S. McCawWorld Scientificc2020
Other Libraries in Japan
  • Subject HeadingMolecular orbitals Atomic spectra......nd theoretical Molecular orbitals -- Textbooks A......LC)fst00853521 Molecular orbitals. fast (OCoLC)fst01024817
  • Subject Heading (ID)Molecular orbitals Atomic spectra......nd theoretical Molecular orbitals -- Textbooks A......LC)fst00853521 Molecular orbitals. fast (OCoLC)fst01024817

フロンティア軌道論で理解する有機化学

フロンティア軌道論で理解する有機化学
Paper図書
稲垣都士, 池田博隆, 山本尚 著化学同人2018.12<PA317-M2>
National Diet LibraryOther Libraries in Japan
  • Authority（Subject Heading/altLabel）有機反応 分子軌道関数 分子軌道関数法 MO法 Molecular orbitals

有機分子の分子間力 : Ab initio分子軌道法による分子間相互作用エネルギーの解析

有機分子の分子間力 : Ab initio分子軌道法による分子間相互作用エネルギーの解析
Paper図書
都築誠二 著東京大学出版会2015.3<PA47-L42>
National Diet LibraryOther Libraries in Japan
  • Authority（Subject Heading/altLabel）Intermolecular forces 分子軌道関数 分子軌道関数法 MO法 Molecular orbitals

Bonding in electron-rich molecules : qualitative valence-bond approach via increased-valence structures 2nd ed

Bonding in electron-rich molecules : qualitative valence-bond approach via increased-valence structures 2nd ed
Paper図書
Richard D. HarcourtSpringerc2016
Other Libraries in Japan
  • Subject HeadingValence (Theoretical chemistry) Molecular orbitals
  • Subject Heading (ID)Valence (Theoretical chemistry) Molecular orbitals

有機分子の分子軌道計算と活用 : 分子軌道法を用いた有機分子の性質と基本的反応の計算と活用

有機分子の分子軌道計算と活用 : 分子軌道法を用いた有機分子の性質と基本的反応の計算と活用
Paper図書
染川賢一 著九州大学出版会2013.4<YU7-L541>
National Diet LibraryOther Libraries in Japan
  • Authority（Subject Heading/altLabel）Chemistry, Organic 分子軌道関数 分子軌道関数法 MO法 Molecular orbitals

Orbitals : with applications in atomic spectra

Orbitals : with applications in atomic spectra
Paper図書
Charles S. McCawImperial College Pressc2015
Other Libraries in Japan
  • Subject HeadingMolecular orbitals Atomic spectra Chemistry, Phy...
  • Subject Heading (ID)Molecular orbitals Atomic spectra Chemistry, Phy...

はじめての電子状態計算 : DV-Xα分子軌道計算への入門 新版

はじめての電子状態計算 : DV-Xα分子軌道計算への入門 新版
Paper図書
足立裕彦, 小笠原一禎, 小和田善之, 坂根弦太, 水野正隆 共著三共出版2017.11<PA47-L93>
National Diet LibraryOther Libraries in Japan
  • Authority（Subject Heading/altLabel）分子軌道関数 計算機化学 分子軌道関数法 コンピュータ化学 MO法 化学計算 Molecular orbitals Computational chemistry

Theoretical and computational aspects of magnetic organic molecules

Theoretical and computational aspects of magnetic organic molecules
Paper図書
Sambhu N Datta, Carl O Trindle, Francesc IllasImperial College Pressc2014
Other Libraries in Japan
  • Subject HeadingMagnetochemistry Molecular orbitals Molecules -- Magnetic propert...
  • Subject Heading (ID)Magnetochemistry Molecular orbitals Molecules -- Magnetic propert...

Electron affinity calculations for thioethers [microform] / Deley L. Sulton ... [et al.] (NASA technical memorandum ; 113178)

Electron affinity calculations for thioethers [microform] / Deley L. Sulton ... [et al.] (NASA technical memorandum ; 113178)
Microform図書
1997<YCA-NAS 1.15:113178>
National Diet Library
  • Subject HeadingMolecular orbitals Electron affinity Lubricants ...

Orbital interactions in chemistry : hbk 2nd ed

Orbital interactions in chemistry : hbk 2nd ed
Paper図書
by Thomas A. Albright, Jeremy K. Burdett, Myung-Hwan WhangboJohn Wiley & Sonsc2013
Other Libraries in Japan
  • Subject HeadingMolecular orbitals SCIENCE / Chemistry / Physica...
  • Subject Heading (ID)Molecular orbitals SCIENCE / Chemistry / Physica...

Orbital approach to the electronic structure of solids 1st ed

Orbital approach to the electronic structure of solids 1st ed
Paper図書
by Enric Canadell, Marie-Liesse Doublet, Christophe IungOxford University Press2012
Other Libraries in Japan
  • Subject HeadingSolids Electronic structure Molecular orbitals
  • Subject Heading (ID)Solids Electronic structure Molecular orbitals
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