Related references
Note: Only part of the references are listed.Unraveling the secrets of radical SAM mechanisms
Joan B. Broderick
FASEB JOURNAL (2022)
Increasing Complexity in a Conformer Space Step-by-Step: Weighing London Dispersion against Cation-? Interactions
Vladimir Gorbachev et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2022)
A litmus test for the balanced description of dispersion interactions and coordination chemistry of lanthanoids
Juana Vazquez Quesada et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)
Surprising Homolytic Gas Phase Co-C Bond Dissociation Energies of Organometallic Aryl-Cobinamides Reveal Notable Non-Bonded Intramolecular Interactions
Alexandra Tsybizova et al.
CHEMISTRY-A EUROPEAN JOURNAL (2021)
How to VPT2: Accurate and Intuitive Simulations of CH Stretching Infrared Spectra Using VPT2+K with Large Effective Hamiltonian Resonance Treatments
Peter R. Franke et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2021)
Application of continuous wave quantum cascade laser in combination with CIVP spectroscopy for investigation of large organic and organometallic ions
Vladimir M. Gorbachev et al.
REVIEW OF SCIENTIFIC INSTRUMENTS (2021)
Benchmarking London dispersion corrected density functional theory for noncovalent ion-π interactions
Sebastian Spicher et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
Thomas D. Kuehne et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Infrared photodissociation spectroscopy and anharmonic vibrational study of the HO4+ molecular ion
Peter R. Franke et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Perturbation of Pyridinium CIVP Spectra by N2 and H2 Tags: An Experimental and BOMD Study
Alexandra Tsybizova et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2020)
Bond Dissociation Energies in the Gas Phase for Large Molecular Ions by Threshold Collision-Induced Dissociation Experiments: Stretching the Limits
Marek Bot et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2020)
Infrared spectroscopy of the n-propyl and i-propyl radicals in solid para-hydrogen
Gregory T. Pullen et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2019)
Cryogenic ion vibrational predissociation (CIVP) spectroscopy of a gas-phase molecular torsion balance to probe London dispersion forces in large molecules
Alexandra Tsybizova et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Ground-State Structure of the Proton-Bound Formate Dimer by Cold-Ion Infrared Action Spectroscopy
Daniel A. Thomas et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2018)
Direct Participation of a Peripheral Side Chain of a Corrin Ring in Coenzyme B12 Catalysis
Naoki Shibata et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2018)
A 4 K FT-ICR cell for infrared ion spectroscopy
Lukas Fritsche et al.
REVIEW OF SCIENTIFIC INSTRUMENTS (2018)
Conformation-Specific Infrared and Ultraviolet Spectroscopy of Cold [YAPAA+H]+ and [YGPAA+H]+ Ions: A Stereochemical Twist on the β-Hairpin Turn
Andrew F. DeBlase et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Fully Automated Quantum-Chemistry-Based Computation of Spin-Spin-Coupled Nuclear Magnetic Resonance Spectra
Stefan Grimme et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)
Helium Tagging Infrared Photodissociation Spectroscopy of Reactive Ions
Jana Roithova et al.
ACCOUNTS OF CHEMICAL RESEARCH (2016)
Co-C Bond Dissociation Energies in Cobalamin Derivatives and Dispersion Effects: Anomaly or Just Challenging?
Zheng-wang Qu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes
Tobias Risthaus et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Hiding in Plain Sight: Unmasking the Diffuse Spectral Signatures of the Protonated N-Terminus in Isolated Dipeptides Cooled in a Cryogenic Ion Trap
Christopher M. Leavitt et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)
Co-C Bond Energies in Adenosylcobinamide and Methylcobinamide in the Gas Phase and in Silico
Ilia J. Kobylianskii et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Computing vibrational spectra from ab initio molecular dynamics
Martin Thomas et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
Characterization of reaction intermediates by ion spectroscopy
Jana Roithova
CHEMICAL SOCIETY REVIEWS (2012)
The Cobalt-Methyl Bond Dissociation in Methylcobalamin: New Benchmark Analysis Based on Density Functional Theory and Completely Renormalized Coupled-Cluster Calculations
Pawel M. Kozlowski et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Etiology of Potentially Primordial Biomolecular Structures: From Vitamin B12 to the Nucleic Acids and an Inquiry into the Chemistry of Life's Origin: A Retrospective
Albert Eschenmoser
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Vitamin B-12-derivatives-enzyme cofactors and ligands of proteins and nucleic acids
Karl Gruber et al.
CHEMICAL SOCIETY REVIEWS (2011)
Infrared multiple photon dissociation spectroscopy of trapped ions
Nick C. Polfer
CHEMICAL SOCIETY REVIEWS (2011)
TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories
Martin Brehm et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Vibrational Characterization of Simple Peptides Using Cryogenic Infrared Photodissociation of H2-Tagged, Mass-Selected Ions
Michael Z. Kamrath et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Density functional theory with London dispersion corrections
Stefan Grimme
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Conformation-specific Spectroscopy and photodissociation of cold, protonated tyrosine and phenylalanine
Jaime A. Stearns et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
Joost VandeVondele et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Performance of DFT in modeling electronic and structural properties of cobalamins
Jadwiga Kuta et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Free radical mechanisms in enzymology
Perry A. Frey et al.
CHEMICAL REVIEWS (2006)
Accurate Coulomb-fitting basis sets for H to Rn
F Weigend
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals
M Krack
THEORETICAL CHEMISTRY ACCOUNTS (2005)
Chemistry and enzymology of vitamin B12
KL Brown
CHEMICAL REVIEWS (2005)
Anharmonic vibrational properties by a fully automated second-order perturbative approach
V Barone
JOURNAL OF CHEMICAL PHYSICS (2005)
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
F Weigend et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
AdoMet radical proteins - from structure to evolution - alignment of divergent protein sequences reveals strong secondary structure element conservation
Y Nicolet et al.
NUCLEIC ACIDS RESEARCH (2004)
Radical catalysis in coenzyme B12-dependent isomerization (eliminating) reactions
T Toraya
CHEMICAL REVIEWS (2003)
Radical carbon skeleton rearrangements:: Catalysis by coenzyme B12-dependent mutases
R Banerjee
CHEMICAL REVIEWS (2003)
S-Adenosylmethionine:: A wolf in sheep's clothing, or a rich man's adenosylcobalamin?
PA Frey et al.
CHEMICAL REVIEWS (2003)
An efficient orbital transformation method for electronic structure calculations
J VandeVondele et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Microbial production of vitamin B-12
JH Martens et al.
APPLIED MICROBIOLOGY AND BIOTECHNOLOGY (2002)
Share Paper
