Density Functional Investigation of Structures and Harmonic Force Fields of Methyl-Substitutedp-Benzoquinones

Marco Nonella

doi:10.1021/jp961932l

Density Functional Investigation of Structures and Harmonic Force Fields of Methyl-Substitutedp-Benzoquinones

The Journal of Physical Chemistry ◽

10.1021/jp961932l ◽

1996 ◽

Vol 100 (51) ◽

pp. 20148-20155 ◽

Cited By ~ 4

Author(s):

Marco Nonella

Keyword(s):

Density Functional ◽

Force Fields ◽

Harmonic Force ◽

Functional Investigation

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Density Functional Investigation of Methoxy-Substitutedp-Benzoquinones: Conformational Analysis and Harmonic Force Fields of 2-Methoxy- and 2,3-Dimethoxy-1,4-benzoquinone

The Journal of Physical Chemistry ◽

10.1021/jp9609747 ◽

1996 ◽

Vol 100 (34) ◽

pp. 14549-14559 ◽

Cited By ~ 14

Author(s):

Marco Nonella ◽

Christof Brändli

Keyword(s):

Conformational Analysis ◽

Density Functional ◽

Force Fields ◽

Harmonic Force ◽

Functional Investigation

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ChemInform Abstract: Density Functional Investigation of Structures and Harmonic Force Fields of Methyl-Substituted p-Benzoquinones

ChemInform ◽

10.1002/chin.199716037 ◽

2010 ◽

Vol 28 (16) ◽

pp. no-no

Author(s):

M. NONELLA

Keyword(s):

Density Functional ◽

Force Fields ◽

Harmonic Force ◽

Functional Investigation

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Structures and harmonic force fields of 1,4-naphthoquinone and naphthalene: A density functional study

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(95)04390-x ◽

1996 ◽

Vol 362 (1) ◽

pp. 7-21 ◽

Cited By ~ 11

Author(s):

Marco Nonella

Keyword(s):

Density Functional ◽

Force Fields ◽

Functional Study ◽

Harmonic Force ◽

Density Functional Study

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Density functional study of the harmonic force fields of cyclopentadienyl anion, cyclopentadienyl lithium, and ferrocene

The Journal of Physical Chemistry ◽

10.1021/j100057a010 ◽

1994 ◽

Vol 98 (6) ◽

pp. 1584-1595 ◽

Cited By ~ 59

Author(s):

Attila Berces ◽

Tom Ziegler ◽

Liangyou Fan

Keyword(s):

Density Functional ◽

Force Fields ◽

Functional Study ◽

Harmonic Force ◽

Density Functional Study ◽

Cyclopentadienyl Anion

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Comparison and Scaling of Hartree-Fock and Density Functional Harmonic Force Fields. 1. Formamide Monomer

The Journal of Physical Chemistry ◽

10.1021/j100065a023 ◽

1994 ◽

Vol 98 (14) ◽

pp. 3681-3687 ◽

Cited By ~ 81

Author(s):

Jan Florian ◽

Benny G. Johnson

Keyword(s):

Density Functional ◽

Force Fields ◽

Harmonic Force ◽

Hartree Fock

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Harmonic Force Fields and Vibrational Frequencies of Benzene, Dibenzene-Chromium, Benzene-Chromium Tricarbonyl, and Chromium-Hexacarbonyl. A Density Functional Study

The Journal of Physical Chemistry ◽

10.1021/j100101a025 ◽

1994 ◽

Vol 98 (50) ◽

pp. 13233-13242 ◽

Cited By ~ 31

Author(s):

Attila Berces ◽

Tom Ziegler

Keyword(s):

Density Functional ◽

Force Fields ◽

Vibrational Frequencies ◽

Functional Study ◽

Harmonic Force ◽

Density Functional Study ◽

Chromium Tricarbonyl ◽

Chromium Hexacarbonyl

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Density functional investigation of cytosine on platinum decorated graphene

10.1063/5.0043626 ◽

2021 ◽

Author(s):

Shamsan Ali ◽

Baliram Lone

Keyword(s):

Density Functional ◽

Functional Investigation

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Density Functional Investigation of the Conversion of Furfural to Furfuryl Alcohol by Reaction with i-Propanol over UiO-66 Metal–Organic Framework

Inorganic Chemistry ◽

10.1021/acs.inorgchem.0c03764 ◽

2021 ◽

Author(s):

Jarinya Sittiwong ◽

Sininat Boonmark ◽

Watinee Nunthakitgoson ◽

Thana Maihom ◽

Chularat Wattanakit ◽

...

Keyword(s):

Furfuryl Alcohol ◽

Density Functional ◽

Metal Organic Framework ◽

Metal Organic ◽

Functional Investigation ◽

Organic Framework

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Force Fields in Liquid and Solid Cu Metal: Relation Between Quantum Chemical and Density Functional Treatments

Physics and Chemistry of Liquids ◽

10.1080/00319109808032789 ◽

1998 ◽

Vol 36 (4) ◽

pp. 207-214 ◽

Cited By ~ 1

Author(s):

N. H. March ◽

K. Ray

Keyword(s):

Quantum Chemical ◽

Density Functional ◽

Force Fields

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Density Functional Investigation on Li2MnO3

Chemistry of Materials ◽

10.1021/cm3027219 ◽

2012 ◽

Vol 24 (21) ◽

pp. 4242-4251 ◽

Cited By ~ 161

Author(s):

Ruijuan Xiao ◽

Hong Li ◽

Liquan Chen

Keyword(s):

Density Functional ◽

Functional Investigation

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