The Toxicology of Inhaled Nitric Oxide
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January 2001 |
Metal–Organic Frameworks for Air Purification of Toxic Chemicals
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April 2014 |
History of chemical and biological warfare agents
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October 2005 |
Liquid Phase Oxidation and Absorption of NO from Flue Gas: A Review
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January 2015 |
Removal of Sulfur Dioxide and Nitric Oxide Using Cobalt Ethylenediamine Solution
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January 2005 |
Nitric Oxide Adsorption and Delivery in Flexible MIL-88(Fe) Metal–Organic Frameworks
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April 2013 |
The Chemistry and Applications of Metal-Organic Frameworks
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August 2013 |
Reticular synthesis and the design of new materials
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June 2003 |
Metal−Organic Frameworks with Functional Pores for Recognition of Small Molecules
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August 2010 |
Quantum-Chemical Characterization of the Properties and Reactivities of Metal–Organic Frameworks
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April 2015 |
Ab-Initio Study of the Adsorption and Separation of NO x and SO x Gases in Functionalized IRMOF Ligands
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November 2011 |
Trace Flue Gas Contaminants Poison Coordinatively Unsaturated Metal–Organic Frameworks: Implications for CO 2 Adsorption and Separation
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September 2012 |
Adsorption of selected gases on metal-organic frameworks and covalent organic frameworks: A comparative grand canonical Monte Carlo simulation
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June 2012 |
Competitive Coadsorption of CO 2 with H 2 O, NH 3 , SO 2 , NO, NO 2 , N 2 , O 2 , and CH 4 in M-MOF-74 (M = Mg, Co, Ni): The Role of Hydrogen Bonding
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March 2015 |
How Well Do Metal–Organic Frameworks Tolerate Flue Gas Impurities?
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October 2012 |
NO Disproportionation at a Mononuclear Site-Isolated Fe 2+ Center in Fe 2+ -MOF-5
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June 2015 |
High-Capacity Hydrogen and Nitric Oxide Adsorption and Storage in a Metal−Organic Framework
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February 2007 |
Adsorption properties of HKUST-1 toward hydrogen and other small molecules monitored by IR
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January 2007 |
Adsorption of nitric oxide in metal-organic frameworks: Low temperature IR and EPR spectroscopic evaluation of the role of open metal sites
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November 2015 |
Local Structure of CPO-27-Ni Metallorganic Framework upon Dehydration and Coordination of NO
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August 2008 |
Gradual Release of Strongly Bound Nitric Oxide from Fe 2 (NO) 2 (dobdc)
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March 2015 |
Postsynthetic diazeniumdiolate formation and NO release from MOFs
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January 2010 |
Nitric Oxide Chemisorption in a Postsynthetically Modified Metal−Organic Framework
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November 2009 |
UiO-66-polyether block amide mixed matrix membranes for CO2 separation
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September 2016 |
Post-synthetic Structural Processing in a Metal–Organic Framework Material as a Mechanism for Exceptional CO 2 /N 2 Selectivity
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May 2013 |
Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues
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January 2013 |
Adsorption and Separation of Light Gases on an Amino-Functionalized Metal-Organic Framework: An Adsorption and In Situ XRD Study
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February 2012 |
Ligand Functionalization and Its Effect on CO 2 Adsorption in Microporous Metal-Organic Frameworks
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January 2013 |
Temperature-/Pressure-Dependent Selective Separation of CO2 or Benzene in a Chiral Metal-Organic Framework Material
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June 2012 |
A Robust Porous Metal-Organic Framework with a New Topology That Demonstrates Pronounced Porosity and High-Efficiency Sorption/Selectivity Properties of Small Molecules
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March 2012 |
The Effect of Methyl Functionalization on Microporous Metal-Organic Frameworks' Capacity and Binding Energy for Carbon Dioxide Adsorption
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October 2011 |
Two ZnIIMetal-Organic Frameworks with Coordinatively Unsaturated Metal Sites: Structures, Adsorption, and Catalysis
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October 2012 |
Interpenetrated Zirconium–Organic Frameworks: Small Cavities versus Functionalization for CO 2 Capture
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June 2016 |
Adsorption Equilibrium of N2, CH4, and CO2 on MIL-101
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September 2015 |
Interplay between Theory and Experiment for Ammonia Synthesis Catalyzed by Transition Metal Complexes
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April 2016 |
Conversion of Dinitrogen to Nitriles at a Multinuclear Titanium Framework
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September 2016 |
Design of a Metal–Organic Framework with Enhanced Back Bonding for Separation of N 2 and CH 4
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December 2013 |
Design, Synthesis, Characterization, and Catalytic Properties of a Large-Pore Metal-Organic Framework Possessing Single-Site Vanadyl(monocatecholate) Moieties
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July 2013 |
Reusable Oxidation Catalysis Using Metal-Monocatecholato Species in a Robust Metal–Organic Framework
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March 2014 |
Comparative study of titanium-functionalized UiO-66: support effect on the oxidation of cyclohexene using hydrogen peroxide
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January 2015 |
Synthesis and Metalation of Catechol-Functionalized Porous Organic Polymers
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March 2012 |
Stabilizing unstable species through single-site isolation: a catalytically active TaV trialkyl in a porous organic polymer
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January 2013 |
Removal of airborne toxic chemicals by porous organic polymers containing metal–catecholates
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January 2013 |
Enhancement of Hydrogen Adsorption in Metal−Organic Frameworks by Mg 2+ Functionalization: A Multiscale Computational Study
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September 2010 |
Metal Alkoxide Functionalization in Metal−Organic Frameworks for Enhanced Ambient-Temperature Hydrogen Storage
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December 2010 |
A computational study of CH 4 storage in porous framework materials with metalated linkers: connecting the atomistic character of CH 4 binding sites to usable capacity
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January 2016 |
Extraction of Americium(III), Plutonium(IV, V) and Neptunium(V) with Calixarenes
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September 2012 |
Computational Screening of Metal Catecholates for Ammonia Capture in Metal–Organic Frameworks
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March 2015 |
Production of Formic Acid via Hydrogenation of CO 2 over a Copper-Alkoxide-Functionalized MOF: A Mechanistic Study
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August 2013 |
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
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November 2006 |
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
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July 2007 |
Rationale for mixing exact exchange with density functional approximations
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December 1996 |
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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April 2010 |
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
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January 2005 |
Interference-corrected explicitly-correlated second-order perturbation theory
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February 2011 |
Accurate atomization energies from combining coupled-cluster computations with interference-corrected explicitly correlated second-order perturbation theory
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January 2014 |
Ab Initio Study of the Adsorption of Small Molecules on Metal–Organic Frameworks with Oxo-centered Trimetallic Building Units: The Role of the Undercoordinated Metal Ion
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August 2015 |
A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
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May 1980 |
Second‐order perturbation theory with a complete active space self‐consistent field reference function
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January 1992 |
MOLCAS-a software for multiconfigurational quantum chemistry calculations: MOLCAS
- Aquilante, Francesco; Pedersen, Thomas Bondo; Veryazov, Valera
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Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 3, Issue 2
https://doi.org/10.1002/wcms.1117
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September 2012 |
Fast noniterative orbital localization for large molecules
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November 2006 |
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
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September 2004 |
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
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October 1970 |