Electronic structure, vibrational spectrum and photochemistry of the Fe+H2 system (original) (raw)

Vibrational Spectroscopy of Fe3(+)(CH4)n (n=1-3) and Fe4(+)(CH4)4

Muhammad Ashraf

The journal of physical chemistry. A, 2017

View PDFchevron_right

The electronic states of Fe2+

Jesus Ugalde

Chemical Physics Letters, 2003

View PDFchevron_right

Effects of bridging hydrogens on metal-metal bonds. 2. UV photoelectron and UV-visible spectra and quantum chemical calculations for Fe3(.mu.-H)3(CO)9(.mu.3CMe) and Co3(CO)9(.mu.3CMe)

Roger DeKock

Inorganic Chemistry, 1982

View PDFchevron_right

Probing the Electronic Structure of the Di-Iron Subsite of [Fe]-Hydrogenase: A Photoelectron Spectroscopic Study of Fe(I)−Fe(I) Model Complexes

Lai-sheng Wang

The Journal of Physical Chemistry A, 2003

View PDFchevron_right

Taming the low-lying electronic states of FeH

Nathan Deyonker

The Journal of Chemical Physics, 2012

View PDFchevron_right

On the Electronic and Geometric Structures of FeO 2 –/0 and the Assignment of the Anion Photoelectron Spectrum

van son tran

Journal of Chemical Theory and Computation, 2012

View PDFchevron_right

A multireference perturbation theory study on the Fe2molecule: in quest of the ground state

Celestino Angeli

Molecular Physics, 2011

View PDFchevron_right

The vibrational spectrum of FeO2+ isomers

Matias Fagiani

2018

View PDFchevron_right

Theoretical Study of Bonding, Structure, and Vibrational Spectra of the [Fe 2 (CO) 8 ] 2 - Anion and Its Derivatives †

Gabriel Aullón

Organometallics, 2001

View PDFchevron_right

The vibrational spectrum of FeO2+ isomers—Theoretical benchmark and experiment

Torsten Wende, Daniel Boese

The Journal of Chemical Physics, 2014

View PDFchevron_right

ATOMIC DATA AND SPECTRAL MODEL FOR Fe II

manuel bautista

The Astrophysical Journal, 2015

View PDFchevron_right

The Hei and HeH Photoelectron Spectra of [Fe*?3-C3H5(CO)3X] and [Fe^3-C4H7 (CO)3X] (X = Cl, Br, I) and [CoC3H5(CO)3]

Jaap Louwen

Zeitschrift für Naturforschung B, 1982

View PDFchevron_right

The predicted spectrum of FeOH in its Renner-degenerate and electronic states

Per Jensen

Journal of Molecular Spectroscopy, 2009

View PDFchevron_right

On the photofragmentation of Fe(CO)5. II. Molecular orbital studies of Fe(CO)n, 1≥n≥5

Marco Aurelio De Paoli

The Journal of Chemical Physics, 1984

View PDFchevron_right

HYPERFINE INTERACTION OF THE Fe 2+ ION IN Fe(H 2 O) 6 ·(ClO 4 ) 2

Denes Lajos Nagy

Le Journal de Physique Colloques, 1974

View PDFchevron_right

On the Electronic Structure of [1Fe] Fe−S Complexes from Anionic Photoelectron Spectroscopy

You-Jun Fu

The Journal of Physical Chemistry A, 2003

View PDFchevron_right

Interplay of Intra-atomic and Interatomic Effects: An Investigation of the2pCore Level Spectra of Atomic Fe and MolecularFeCl2

Michael Martins

Physical Review Letters, 2004

View PDFchevron_right

FURTHER EXAMPLES OF A LIGAND FIELD CALCULATION FOR THE SIXFOLD COORDINATED COMPLEX Fe(H2O)2+6

Denes Lajos Nagy

Le Journal de Physique Colloques, 1976

View PDFchevron_right

1 H-ENDOR Evidence for a Hydrogen-Bonding Interaction That Modulates the Reactivity of a Nonheme Fe IV ═O Unit

Lawrence Que

Inorganic Chemistry, 2012

View PDFchevron_right

The electronic configuration of Fe in

M. Fanciulli

Journal of Physics: Condensed Matter, 1997

View PDFchevron_right

A theoretical study of the reaction of Fe+ (6D) with H2

A. Oliva

Journal of Molecular Structure: THEOCHEM, 1988

View PDFchevron_right

Solvent Effects on Molecular and Ionic Spectra. 4. Photochemistry of Fe2+(H2O)6 in Water Revisited: Possible Mechanisms for the Primary Absorption Process Leading to Electron Ejection

Jeffrey Reimers

The Journal of Physical Chemistry, 1994

View PDFchevron_right

Time-Dependent Density Functional Theory Study of Fe 2 (CO) 9 Low-Lying Electronic Excited States

Claudio Greco

Journal of Physical Chemistry A, 2006

View PDFchevron_right

Electronic structures and rovibronically averaged geometries of the X̃ [sup 6]A[sub i][sup ʹ] and à [sup 6]A[sub i][sup ʺ] states of FeOH

Umpei Nagashima

The Journal of Chemical Physics, 2010

View PDFchevron_right

The low-lying electronic states of FeO+: Rotational analysis of the resonance enhanced photodissociation spectra of the 6Π7/2←X 6Σ+ system

FERNANDO VELAZQUEZ AGUIRRE

The Journal of Chemical Physics, 2003

View PDFchevron_right

Theoretical Investigation of the Electronic Structure of Fe(II) Complexes at Spin-State Transitions

Tamás Rozgonyi

Journal of Chemical Theory and Computation, 2012

View PDFchevron_right

Ab initio investigation of FeTi–H system

Mehmet Kadri Aydinol

View PDFchevron_right

Electronic configuration of Iron (Fe)

muataz majeed

2015

View PDFchevron_right

Electronic structure of compounds with Fe-C bonds

Maurizio Persico

Journal of Molecular Structure: THEOCHEM, 1993

View PDFchevron_right

The Photochemistry of Fe2(S2C3H6)(CO)6(µ-CO) and Its Oxidized Form, Two Simple [FeFe]-Hydrogenase CO-Inhibited Models. A DFT and TDDFT Investigation

Luca Bertini

Inorganics, 2021

View PDFchevron_right

Redox and Structural Properties of Mixed-Valence Models for the Active Site of the [FeFe]-Hydrogenase: Progress and Challenges

Scott Wilson

Inorganic Chemistry, 2008

View PDFchevron_right

Low-lying states and electronic spectroscopy of iron(II) prophine

Brian Weiner

Journal of The American Chemical Society, 1986

View PDFchevron_right

Inner-shell photoexcitation of Fe xv and Fe xvi

Gary Ferland

Monthly Notices of the Royal Astronomical Society, 2003

View PDFchevron_right

Comment on "Fe2: As simple as a Herculean labour. Neutral (Fe2), cationic (Fe2 (+)), and anionic (Fe2 (-)) species" [J. Chem. Phys. 142, 244304 (2015)]

Donald Truhlar

The Journal of chemical physics, 2016

View PDFchevron_right

Fe(N 2 ) n ( n = 1−5): Structure, Bonding, and Vibrations from Density Functional Theory

Dennis Salahub, Helio Anderson Duarte

Inorganic Chemistry, 1999

View PDFchevron_right