Structure, Stability, and Electronic and NMR Properties of Various Oxo- and Nitrido-Derivatives of [L(Salen)Mn(III)]+, Where L = None and Imidazole. A Density Functional Study

Ilja V. Khavrutskii; Djamaladdin G. Musaev; Keiji Morokuma

doi:10.1021/ic026094q

Structure, Stability, and Electronic and NMR Properties of Various Oxo- and Nitrido-Derivatives of [L(Salen)Mn(III)]+, Where L = None and Imidazole. A Density Functional Study

Inorganic Chemistry ◽

10.1021/ic026094q ◽

2003 ◽

Vol 42 (8) ◽

pp. 2606-2621 ◽

Cited By ~ 25

Author(s):

Ilja V. Khavrutskii ◽

Djamaladdin G. Musaev ◽

Keiji Morokuma

Keyword(s):

Density Functional ◽

Functional Study ◽

Structure Stability ◽

Density Functional Study ◽

Derivatives Of ◽

Nmr Properties

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Density functional study of Diels-Alder reactions between cyclopentadiene and substituted derivatives of ethylene

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1997)61:3<381::aid-qua3>3.0.co;2-s ◽

1997 ◽

Vol 61 (3) ◽

pp. 381-388 ◽

Cited By ~ 23

Author(s):

Vicen� Branchadell

Keyword(s):

Density Functional ◽

Diels Alder ◽

Functional Study ◽

Density Functional Study ◽

Derivatives Of

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The evolutions of the structure stability, vibrational frequency, frontier orbital, and electronegativity of the unconventional exohedral fullerenes C64X4 (X=H, F, Cl, Br, and I): A density functional study

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2009.05.018 ◽

2009 ◽

Vol 909 (1-3) ◽

pp. 43-48 ◽

Cited By ~ 18

Author(s):

Chunmei Tang ◽

Weihua Zhu ◽

Kaiming Deng

Keyword(s):

Vibrational Frequency ◽

Density Functional ◽

Functional Study ◽

Structure Stability ◽

Frontier Orbital ◽

Density Functional Study

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Density Functional Study of Protonated, Acetylated, and Mercurated Derivatives of Ferrocene: Mechanism of the Electrophilic Substitution Reaction

Organometallics ◽

10.1021/om980218i ◽

1998 ◽

Vol 17 (23) ◽

pp. 4983-4991 ◽

Cited By ~ 28

Author(s):

María J. Mayor-López ◽

Jacques Weber ◽

Berit Mannfors ◽

Allan F. Cunningham

Keyword(s):

Substitution Reaction ◽

Density Functional ◽

Electrophilic Substitution ◽

Functional Study ◽

Electrophilic Substitution Reaction ◽

Density Functional Study ◽

Derivatives Of

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The properties of hydrogenated derivatives of the alkali atom coated clusters C6M6 (M=Li, Na): A density functional study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2015.06.023 ◽

2015 ◽

Vol 1071 ◽

pp. 46-52 ◽

Cited By ~ 2

Author(s):

Chunmei Tang ◽

Fengzhi Gao ◽

Zhenjun Zhang ◽

Jing Kang ◽

Jianfei Zou ◽

...

Keyword(s):

Density Functional ◽

Alkali Atom ◽

Functional Study ◽

Density Functional Study ◽

Derivatives Of

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Density functional study on the circular dichroism of photoelectron angular distribution from chiral derivatives of oxirane

The Journal of Chemical Physics ◽

10.1063/1.1640617 ◽

2004 ◽

Vol 120 (7) ◽

pp. 3284-3296 ◽

Cited By ~ 57

Author(s):

M. Stener ◽

G. Fronzoni ◽

D. Di Tommaso ◽

P. Decleva

Keyword(s):

Angular Distribution ◽

Circular Dichroism ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Photoelectron Angular Distribution ◽

Derivatives Of ◽

Circular Dichroïsm

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Solvatochromic effect in absorption and emission spectra of star-shaped bipolar derivatives of 1,3,5-triazine and carbazole. A time-dependent density functional study

Journal of Molecular Modeling ◽

10.1007/s00894-017-3234-y ◽

2017 ◽

Vol 23 (2) ◽

Cited By ~ 5

Author(s):

Gleb V. Baryshnikov ◽

Sergey V. Bondarchuk ◽

Valentina A. Minaeva ◽

Hans Ågren ◽

Boris F. Minaev

Keyword(s):

Density Functional ◽

Emission Spectra ◽

Time Dependent ◽

Functional Study ◽

Density Functional Study ◽

Absorption And Emission ◽

Absorption And Emission Spectra ◽

Solvatochromic Effect ◽

Derivatives Of ◽

Dependent Density

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Cu–Ni core–shell nanoparticles: structure, stability, electronic, and magnetic properties: a spin-polarized density functional study

Journal of Nanoparticle Research ◽

10.1007/s11051-016-3731-4 ◽

2017 ◽

Vol 19 (2) ◽

Cited By ~ 4

Author(s):

Qiang Wang ◽

Xinyan Wang ◽

Jianlan Liu ◽

Yanhui Yang

Keyword(s):

Magnetic Properties ◽

Density Functional ◽

Functional Study ◽

Structure Stability ◽

Core Shell ◽

Shell Nanoparticles ◽

Density Functional Study ◽

Electronic And Magnetic Properties ◽

Spin Polarized ◽

Core Shell Nanoparticles

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Density Functional Study of the Structure, Stability and Oxygen Reduction Activity of Ultrathin Platinum Nanowires

10.2172/1063919 ◽

2013 ◽

Author(s):

Ivana Gonzales ◽

Neil J. Henson ◽

Fernando H. Garzon

Keyword(s):

Oxygen Reduction ◽

Density Functional ◽

Functional Study ◽

Structure Stability ◽

Density Functional Study ◽

Platinum Nanowires ◽

Reduction Activity

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Density Functional Study of the Structure, Stability and Oxygen Reduction Activity of Ultrathin Platinum Nanowires

Journal of The Electrochemical Society ◽

10.1149/2.047306jes ◽

2013 ◽

Vol 160 (6) ◽

pp. F548-F553 ◽

Cited By ~ 6

Author(s):

I. Matanović ◽

P. R. C. Kent ◽

F. H. Garzon ◽

N. J. Henson

Keyword(s):

Oxygen Reduction ◽

Density Functional ◽

Functional Study ◽

Structure Stability ◽

Density Functional Study ◽

Platinum Nanowires ◽

Reduction Activity

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Time Dependent Density Functional Study on the Electronic Spectra of Some Derivatives of Triafulvalene

Canadian Chemical Transactions ◽

10.13179/canchemtrans.2015.03.04.0241 ◽

2016 ◽

pp. 438-445

Keyword(s):

Electronic Spectra ◽

Density Functional ◽

Time Dependent ◽

Functional Study ◽

Density Functional Study ◽

Derivatives Of ◽

Dependent Density

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