Experimental and Quantum Mechanical Characterization of an Oxygen‐Bridged Plutonium(IV) Dimer

Debmalya Ray; Jing Xie; Jacob White; Ginger E. Sigmon; Laura Gagliardi; Amy E. Hixon

doi:10.1002/chem.202000638

Experimental and Quantum Mechanical Characterization of an Oxygen‐Bridged Plutonium(IV) Dimer

Chemistry - A European Journal ◽

10.1002/chem.202000638 ◽

2020 ◽

Vol 26 (36) ◽

pp. 8115-8120 ◽

Cited By ~ 1

Author(s):

Debmalya Ray ◽

Jing Xie ◽

Jacob White ◽

Ginger E. Sigmon ◽

Laura Gagliardi ◽

...

Keyword(s):

Mechanical Characterization ◽

Quantum Mechanical

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ChemInform Abstract: STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS. 10. QUANTUM MECHANICAL CHARACTERIZATION OF THE EXCITED STATES OF ETHYL CHLOROPHYLLIDE A ENOL

Chemischer Informationsdienst ◽

10.1002/chin.198143060 ◽

1981 ◽

Vol 12 (43) ◽

Author(s):

J. D. PETKE ◽

L. L. SHIPMAN ◽

G. M. MAGGIORA ◽

R. E. CHRISTOFFERSEN

Keyword(s):

Excited States ◽

Mechanical Characterization ◽

Quantum Mechanical ◽

Stereoelectronic Properties

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ChemInform Abstract: AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE LOW-LYING CATION DOUBLET STATES OF URACIL. INTERPRETATION OF UV AND X-RAY PHOTOELECTRON SPECTRA

Chemischer Informationsdienst ◽

10.1002/chin.198043032 ◽

1980 ◽

Vol 11 (43) ◽

Author(s):

T. J. O'DONNELL ◽

P. R. LEBRETON ◽

J. D. PETKE ◽

L. L. SHIPMAN

Keyword(s):

Ab Initio ◽

Mechanical Characterization ◽

Photoelectron Spectra ◽

Quantum Mechanical ◽

X Ray

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STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS—VII. AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE ELECTRONIC STRUCTURE AND SPECTRA OF CHLOROPHYLLIDE a AND BACTERIOCHLOROPHYLLIDE a CATION RADICALS

Photochemistry and Photobiology ◽

10.1111/j.1751-1097.1980.tb03714.x ◽

1980 ◽

Vol 31 (3) ◽

pp. 243-257 ◽

Cited By ~ 29

Author(s):

J. D. Petke ◽

Gerald M. Maggiora ◽

Lester L. Shipman ◽

Ralph E. Christoffersen

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Mechanical Characterization ◽

Quantum Mechanical ◽

Cation Radicals ◽

Stereoelectronic Properties

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Catalytic Mechanism of Dihydrofolate Reductase Enzyme. A Combined Quantum-Mechanical/Molecular-Mechanical Characterization of Transition State Structure for the Hydride Transfer Step

Journal of the American Chemical Society ◽

10.1021/ja9843019 ◽

1999 ◽

Vol 121 (51) ◽

pp. 12140-12147 ◽

Cited By ~ 36

Author(s):

R. Castillo ◽

J. Andrés ◽

V. Moliner

Keyword(s):

Transition State ◽

Dihydrofolate Reductase ◽

Catalytic Mechanism ◽

Mechanical Characterization ◽

Hydride Transfer ◽

Quantum Mechanical ◽

State Structure ◽

Transition State Structure ◽

Transfer Step

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Quantum Mechanical Characterization of Nucleic Acids in Solution: A Linear-Scaling Study of Charge Fluctuations in DNA and RNA

The Journal of Physical Chemistry B ◽

10.1021/jp0146667 ◽

2002 ◽

Vol 106 (31) ◽

pp. 7693-7703 ◽

Cited By ~ 10

Author(s):

Jana Khandogin ◽

Darrin M. York

Keyword(s):

Nucleic Acids ◽

Mechanical Characterization ◽

Quantum Mechanical ◽

Linear Scaling ◽

Charge Fluctuations ◽

Dna And Rna

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Spectral and Quantum Mechanical Characterization of 3-(2-Benzothiazolyl)-7-(Diethylamino) Coumarin (Coumarin 6) in Binary Solution

Analytical Letters ◽

10.1080/00032719.2017.1300589 ◽

2017 ◽

Vol 50 (17) ◽

pp. 2740-2754 ◽

Cited By ~ 6

Author(s):

Daniela Babusca ◽

Andreea Celia Benchea ◽

Dan Gheorghe Dimitriu ◽

Dana Ortansa Dorohoi

Keyword(s):

Mechanical Characterization ◽

Binary Solution ◽

Quantum Mechanical ◽

Coumarin 6

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UV photoelectron and ab initio quantum mechanical characterization of 2'-deoxyguanosine 5'-phosphate: electronic influences on DNA alkylation patterns

Journal of the American Chemical Society ◽

10.1021/ja00067a037 ◽

1993 ◽

Vol 115 (14) ◽

pp. 6169-6183 ◽

Cited By ~ 20

Author(s):

Ho Soon Kim ◽

Min Yu ◽

Qing Jiang ◽

Pierre R. LeBreton

Keyword(s):

Ab Initio ◽

Mechanical Characterization ◽

Dna Alkylation ◽

Quantum Mechanical

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STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS. XI. AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE ELECTRONIC STRUCTURE AND SPECTRA OF THE CHLOROPHYLLIDE a AND PHEOPHORBIDE a ANION RADICALS

Photochemistry and Photobiology ◽

10.1111/j.1751-1097.1982.tb04391.x ◽

1982 ◽

Vol 36 (4) ◽

pp. 383-393 ◽

Cited By ~ 5

Author(s):

J. D. Petke ◽

G. M. Maggiora ◽

Lester L. Shipman ◽

Ralph E. Christoffersen

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Mechanical Characterization ◽

Quantum Mechanical ◽

Pheophorbide A ◽

Stereoelectronic Properties ◽

Anion Radicals

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First-principles quantum mechanical characterization of structure and NLO properties of Li+@C 60

10.1117/12.228112 ◽

1995 ◽

Cited By ~ 1

Author(s):

Shashi P. Karna ◽

Walter J. Lauderdale ◽

Brett I. Dunlap ◽

Jorge L. Ballester

Keyword(s):

First Principles ◽

Mechanical Characterization ◽

Quantum Mechanical ◽

Nlo Properties

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Quantum mechanical characterization of (INO3) isomers

Chemical Physics Letters ◽

10.1016/j.cplett.2004.09.019 ◽

2004 ◽

Vol 398 (1-3) ◽

pp. 75-81 ◽

Cited By ~ 5

Author(s):

Demetrios K. Papayannis ◽

Agnie M. Kosmas

Keyword(s):

Mechanical Characterization ◽

Quantum Mechanical

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