UB Paderborn / Katalog / Suche / in CDI

Progress in Electronic Structure Calculations on Spin-Crossover Complexes

European journal of inorganic chemistry, 2013-02, Vol.2013 (5-6), p.628-641

2013

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Cooperativity in Spin Crossover Systems. An Atomistic Perspective on the Devil’s Staircase

Inorganic chemistry, 2018-08, Vol.57 (15), p.9478-9488

2018

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Deciphering crystal packing effects in the spin crossover of six [Fe II (2-pic) 3 ]Cl 2 solvatomorphs

Dalton transactions : an international journal of inorganic chemistry, 2019-01, Vol.48 (4), p.1237-1245

2019

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Density functional theory calculations and vibrational spectroscopy on iron spin-crossover compounds

Coordination chemistry reviews, 2009-10, Vol.253 (19), p.2423-2431

2009

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Cooperativity of Spin Crossover Complexes: Combining Periodic Density Functional Calculations and Monte Carlo Simulation

Materials, 2017-02, Vol.10 (2), p.172

2017

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Deciphering crystal packing effects in the spin crossover of six [FeII(2-pic)3]Cl2 solvatomorphs

Dalton transactions : an international journal of inorganic chemistry, 2019-01, Vol.48 (4), p.1237-1245

2019

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Sub-picosecond time resolved infrared spectroscopy of high-spin state formation in Fe(II) spin crossover complexes

Physical chemistry chemical physics : PCCP, 2008, Vol.10 (29), p.4264-4273

2008

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Vibrational spectrum of the spin crossover complex [Fe(phen)2(NCS)2] studied by IR and Raman spectroscopy, nuclear inelastic scattering and DFT calculations

Physical chemistry chemical physics : PCCP, 2006-01, Vol.8 (40), p.4685-4693

2006

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Periodic Density Functional Calculations in Order to Assess the Cooperativity of the Spin Transition in Fe(phen)2(NCS)2

Magnetochemistry, 2016-03, Vol.2 (1), p.14

Paulsen, Hauke

2016

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The Cysteine-rich Region of Type VII Collagen Is a Cystine Knot with a New Topology

The Journal of biological chemistry, 2014-02, Vol.289 (8), p.4861-4869

2014

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Structure-Based Insights into the Dynamics and Function of Two-Domain SlpA from Escherichia coli

Biochemistry (Easton), 2017-12, Vol.56 (50), p.6533-6543

2017

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Cooperativity of Spin Crossover Complexes: Combining Periodic Density Functional Calculations and Monte Carlo Simulations

Materials, 2017-02, Vol.10 (2)

2017

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The spectroscopic ruler revisited at 77 KElectronic supplementary information (ESI) available. See DOI: 10.1039/c3cp51106e

2013-09

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Black and brown carbon over central Amazonia: long-term aerosol measurements at the ATTO site

Atmospheric chemistry and physics, 2018-09, Vol.18 (17), p.12817-12843

2018

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Land cover and its transformation in the backward trajectory footprint region of the Amazon Tall Tower Observatory

Atmospheric chemistry and physics, 2019-07, Vol.19 (13), p.8425-8470

2019

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Single molecule FRET investigation of pressure-driven unfolding of cold shock protein A

The Journal of chemical physics, 2018-03, Vol.148 (12), p.123336-123336

2018

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Chemical Bonds and Spin State Splittings in Spin Crossover Complexes. A DFT and QTAIM Analysis

Monatshefte für Chemie, 2005-06, Vol.136 (6), p.1107-1118

2005

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Free Energy of Spin-Crossover Complexes Calculated with Density Functional Methods

Inorganic chemistry, 2001-04, Vol.40 (9), p.2201-2203

2001

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The spectroscopic ruler revisited at 77 K

Physical chemistry chemical physics : PCCP, 2013-10, Vol.15 (40), p.17664-17671

2013

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Nuclear inelastic scattering and Mössbauer spectroscopy as local probes for ligand binding modes and electronic properties in proteins: vibrational behavior of a ferriheme center inside a β-barrel protein

Journal of the American Chemical Society, 2012-03, Vol.134 (9), p.4216-4228

2012

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A Range of Spin-Crossover Temperature T1/2>300 K Results from Out-of-Sphere Anion Exchange in a Series of Ferrous Materials Based on the 4-(4-Imidazolylmethyl)-2-(2-imidazolylmethyl)imidazole (trim) Ligand, [Fe(trim)2]X2 (X=F, Cl, Br, I): Comparison of Experimental Results with Those Derived from Density Functional Theory Calculations

Chemistry : a European journal, 2006-09, Vol.12 (28), p.7421-7432

2006

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Exonucleolytic degradation of high-density labeled DNA studied by fluorescence correlation spectroscopyElectronic supplementary information (ESI) available. See DOI: 10.1039/c2an15879e

2012-02

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Mössbauer studies of coordination compounds using synchrotron radiation

Coordination Chemistry Reviews, 2005, Vol.249 (1), p.255-272

2005

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Exonucleolytic degradation of high-density labeled DNA studied by fluorescence correlation spectroscopy

Analyst (London), 2012-03, Vol.137 (5), p.1160-1167

2012

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Interpretation of Nuclear Resonant Vibrational Spectra of Rubredoxin Using a Combined Quantum Mechanics and Molecular Mechanics Approach

Chemphyschem, 2011-12, Vol.12 (17), p.3434-3441

2011

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Progress in Electronic Structure Calculations on Spin-Crossover Complexes

Cooperativity in Spin Crossover Systems. An Atomistic Perspective on the Devil’s Staircase

Deciphering crystal packing effects in the spin crossover of six [Fe II (2-pic) 3 ]Cl 2 solvatomorphs

Density functional theory calculations and vibrational spectroscopy on iron spin-crossover compounds

Cooperativity of Spin Crossover Complexes: Combining Periodic Density Functional Calculations and Monte Carlo Simulation

Deciphering crystal packing effects in the spin crossover of six [FeII(2-pic)3]Cl2 solvatomorphs

Sub-picosecond time resolved infrared spectroscopy of high-spin state formation in Fe(II) spin crossover complexes

Vibrational spectrum of the spin crossover complex [Fe(phen)2(NCS)2] studied by IR and Raman spectroscopy, nuclear inelastic scattering and DFT calculations

Periodic Density Functional Calculations in Order to Assess the Cooperativity of the Spin Transition in Fe(phen)2(NCS)2

The Cysteine-rich Region of Type VII Collagen Is a Cystine Knot with a New Topology

Structure-Based Insights into the Dynamics and Function of Two-Domain SlpA from Escherichia coli

Cooperativity of Spin Crossover Complexes: Combining Periodic Density Functional Calculations and Monte Carlo Simulations

The spectroscopic ruler revisited at 77 KElectronic supplementary information (ESI) available. See DOI: 10.1039/c3cp51106e

Black and brown carbon over central Amazonia: long-term aerosol measurements at the ATTO site

Land cover and its transformation in the backward trajectory footprint region of the Amazon Tall Tower Observatory

Single molecule FRET investigation of pressure-driven unfolding of cold shock protein A

Chemical Bonds and Spin State Splittings in Spin Crossover Complexes. A DFT and QTAIM Analysis

Free Energy of Spin-Crossover Complexes Calculated with Density Functional Methods

The spectroscopic ruler revisited at 77 K

Nuclear inelastic scattering and Mössbauer spectroscopy as local probes for ligand binding modes and electronic properties in proteins: vibrational behavior of a ferriheme center inside a β-barrel protein

Exonucleolytic degradation of high-density labeled DNA studied by fluorescence correlation spectroscopyElectronic supplementary information (ESI) available. See DOI: 10.1039/c2an15879e

Mössbauer studies of coordination compounds using synchrotron radiation

Exonucleolytic degradation of high-density labeled DNA studied by fluorescence correlation spectroscopy

Interpretation of Nuclear Resonant Vibrational Spectra of Rubredoxin Using a Combined Quantum Mechanics and Molecular Mechanics Approach

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