Amanote Research
Register
Sign In
Discover open access scientific publications
Search, annotate, share and cite publications
Publications by Martin Head-Gordon
An Assessment of Strategies for the Development of Solid-State Adsorbents for Vehicular Hydrogen Storage
Energy and Environmental Sciences
Sustainability
Renewable Energy
Nuclear Energy
Environmental Chemistry
Engineering
the Environment
Pollution
M2(m-Dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal–Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2Binding at the Open Metal Sites
Journal of the American Chemical Society
Biochemistry
Colloid
Catalysis
Chemistry
Surface Chemistry
Theoretical Study of 4-(Hydroxymethyl)benzoic Acid Synthesis From Ethylene and 5-(Hydroxymethyl)furoic Acid Catalyzed by Sn-Bea
ACS Catalysis
Catalysis
Chemistry
Quantum Mechanical Screening of Single-Atom Bimetallic Alloys for the Selective Reduction of CO2 to C1 Hydrocarbons
ACS Catalysis
Catalysis
Chemistry
Analysis of the Reaction Mechanism and Catalytic Activity of Metal-Substituted Beta Zeolite for the Isomerization of Glucose to Fructose
ACS Catalysis
Catalysis
Chemistry
Computational Quantum Chemistry for Multiple-Site Heisenberg Spin Couplings Made Simple: Still Only One Spin–Flip Required
Journal of Physical Chemistry Letters
Materials Science
Nanotechnology
Physical
Theoretical Chemistry
Nanoscience
Quantifying the Role of Orbital Contraction in Chemical Bonding
Journal of Physical Chemistry Letters
Materials Science
Nanotechnology
Physical
Theoretical Chemistry
Nanoscience
Characterizing and Understanding the Remarkably Slow Basis Set Convergence of Several Minnesota Density Functionals for Intermolecular Interaction Energies
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Complex Orbitals, Multiple Local Minima, and Symmetry Breaking in Perdew–Zunger Self-Interaction Corrected Density Functional Theory Calculations
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Assessing DFT-D3 Damping Functions Across Widely Used Density Functionals: Can We Do Better?
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
1
2
3
›
