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Extraction experiments of element 102, nobelium, by crown ether and relativistic quantum chemical calculations on the extracted complexes

Extraction experiments of element 102, nobelium, by crown ether and relativistic quantum chemical calculations on the extracted complexes
Digital博士論文障害者向け資料あり
渡邉, 瑛介渡邉, 瑛介2023
National Diet Library

Study on the reactivity of active oxygen species with the composite films of methylene blue/water-soluble polymers using quantum chemical calculation

Study on the reactivity of active oxygen species with the composite films of methylene blue/water-soluble polymers using quantum chemical calculation
Digital博士論文障害者向け資料あり
Temeeprasertkij, Pasika東海大学2022-09-24
National Diet Library

Rational Design of Catalysts Using Quantum Chemical Calculations and Elucidation of Their Working Mechanism

Rational Design of Catalysts Using Quantum Chemical Calculations and Elucidation of Their Working Mechanism
Digital博士論文障害者向け資料あり
峯, 真也2020-03-31
Available onlineNational Diet LibraryOther Libraries in Japan

Study on the nonradiative decay and trans → cis photoisomerization of cinnamates by supersonic jet / laser spectroscopy and quantum chemical calculation

Study on the nonradiative decay and trans → cis photoisomerization of cinnamates by supersonic jet / laser spectroscopy and quantum chemical calculation
Digital博士論文障害者向け資料あり
木下, 真之介2021-03-23
National Diet Library

Development of Automated Error Control Scheme Based on Divide-and-Conquer Method for Large-Scale Quantum Chemical Calculation

Development of Automated Error Control Scheme Based on Divide-and-Conquer Method for Large-Scale Quantum Chemical Calculation
Digital博士論文障害者向け資料あり
Fujimori, ToshikazuHokkaido University2021-03-25
Available onlineNational Diet LibraryOther Libraries in Japan

Using spectroscopic measurements and quantum chemical calculation for study of electronic states of alkali metal complexes and its application

Using spectroscopic measurements and quantum chemical calculation for study of electronic states of alkali metal complexes and its application
Digital博士論文障害者向け資料あり
上野, 那美上野, 那美2020
National Diet Library

Theoretical studies on the reactions of diol dehydratase by large-scale quantum chemical calculations

Theoretical studies on the reactions of diol dehydratase by large-scale quantum chemical calculations
Digital博士論文障害者向け資料あり
圡井富, 一城圡井富, 一城2015
National Diet Library

Structure-Mutagenicity Correlation for Nitrated Pyrenes and Heterocyclic Aromatic Amines in the Environment by Quantum Chemical Calculation

Structure-Mutagenicity Correlation for Nitrated Pyrenes and Heterocyclic Aromatic Amines in the Environment by Quantum Chemical Calculation
Digital博士論文障害者向け資料あり
山上, 三郎東邦大学2014-03東邦大学大学院理学研究科 博士論文
National Diet Library

Theoretical studies on enzymatic and catalytic reactions by quantum chemical calculations

Theoretical studies on enzymatic and catalytic reactions by quantum chemical calculations
Paper博士論文
Tomonori Nakayama [著][Tomonori Nakayama][2011]<UT51-2011-P53>
National Diet Library

Studies on hydrogelation properties of functional pharmaceutical polymers utilizing infrared spectroscopy and quantum chemical calculations

Studies on hydrogelation properties of functional pharmaceutical polymers utilizing infrared spectroscopy and quantum chemical calculations
Paper博士論文
Tomokazu Tajiri [著][Tomokazu Tajiri][2011]<UT51-2012-F8>
National Diet Library

Study on the hydrogen-bonding pattern of water and methanol in the liquid phase by infrared spectroscopy combined with quantum chemical calculations

Study on the hydrogen-bonding pattern of water and methanol in the liquid phase by infrared spectroscopy combined with quantum chemical calculations
Paper博士論文
下赤卓史 [著][下赤卓史][2011]<UT51-2015-B166>
National Diet Library

Quantum chemical calculations of photoionization cross sections with complex basis functions optimized for frequency-dependent polarizabilities

Quantum chemical calculations of photoionization cross sections with complex basis functions optimized for frequency-dependent polarizabilities
Paper博士論文
Masato Morita [著][Masato Morita][2008]<UT51-2008-B106>
National Diet Library

化学計算のための数学入門

化学計算のための数学入門
Paper図書
Paul C.Yates. [著], 林茂雄, 馬場凉 訳東京化学同人2007.10<MA21-H306>
National Diet LibraryOther Libraries in Japan
  • Note (General)原タイトル: Chemical calculations at glance
  • Additional TitleChemical calculations at glance

Multi-frequency ESR and quantum chemical calculation study of substituent effect on the g-tensor of phenoxyl radical derivatives

Multi-frequency ESR and quantum chemical calculation study of substituent effect on the g-tensor of phenoxyl radical derivatives
Paper博士論文
Toshiki Yamaji [著][Toshiki Yamaji][2006]<UT51-2006-J134>
National Diet Library

ANIONS OF ACENAPHTHYLENE : Reactions,NMR Spectroscopy and Quantum Chemical Calculations

ANIONS OF ACENAPHTHYLENE : Reactions,NMR Spectroscopy and Quantum Chemical Calculations
Paper博士論文
Marciana Elisabeth Van Loo.Rijksuniversiteit Leiden2000.<M-DINL-3561>
National Diet Library

ANIONS OF ACENAPHTHYLENE : Reactions, NMR Spectroscopy and Quantum Chemical Calculations

ANIONS OF ACENAPHTHYLENE : Reactions, NMR Spectroscopy and Quantum Chemical Calculations
Paper博士論文
Marciana Elisabeth Van Loo.Rijksuniversiteit Leiden2000.<M-DINL-3532>
National Diet Library

New approaches for quantum chemical calculations on very large molecules LA-UR-96-0244 DE96 008770

New approaches for quantum chemical calculations on very large molecules LA-UR-96-0244 DE96 008770
PaperMicroform規格・テクニカルリポート類
Martin, R. L, Russo, T. V, Hay, P. J1996<LS-DE96/008770>
National Diet LibraryOther Libraries in Japan

Photochemistry of Conjugated Hexatrienes : Quantum Chemical Calculations

Photochemistry of Conjugated Hexatrienes : Quantum Chemical Calculations
Paper博士論文
Peter Hinrich.Rijksuniversiteit Leiden1995.<M-DINL-2958>
National Diet Library

C4H4 Radical Cations : Photodissociation Behaviour and Quantum Chemical Calculations

C4H4 Radical Cations : Photodissociation Behaviour and Quantum Chemical Calculations
Paper博士論文
Grielof Koster.Rijksuniversiteit Leiden1996.<M-DINL-3017>
National Diet Library

POLYENALS : ELECTRON-SPIN-ECHO SPECTROSCOPY AND QUANTUM-CHEMICAL CALCULATIONS ON THE LOWEST TRIPLET STATE

POLYENALS : ELECTRON-SPIN-ECHO SPECTROSCOPY AND QUANTUM-CHEMICAL CALCULATIONS ON THE LOWEST TRIPLET STATE
Paper博士論文
Ros, Adriana Maria Petronella.Rijksuniversiteit Leiden1991.<M-DINL-2460>
National Diet Library
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