相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Structure-activity relationships of simple molecules adsorbed on CPO-27-Ni metal-organic framework: In situ experiments vs. theory
L. Valenzano et al.
CATALYSIS TODAY (2012)
Novel Coordination Frameworks Incorporating the 4,4′-Bipyrazolyl Ditopic Ligand
Claudio Pettinari et al.
INORGANIC CHEMISTRY (2012)
H2 storage in isostructural UiO-67 and UiO-66 MOFs
Sachin Chavan et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Metal-Organic Frameworks: A Rapidly Growing Class of Versatile Nanoporous Materials
Scott T. Meek et al.
ADVANCED MATERIALS (2011)
Disclosing the Complex Structure of UiO-66 Metal Organic Framework: A Synergic Combination of Experiment and Theory
Loredana Valenzano et al.
CHEMISTRY OF MATERIALS (2011)
The future of metal-organic frameworks
Neil R. Champness
DALTON TRANSACTIONS (2011)
Heats of Adsorption of CO and CO2 in Metal-Organic Frameworks: Quantum Mechanical Study of CPO-27-M (M = Mg, Ni, Zn)
Loredana Valenzano et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Metal-organic frameworks as promising candidates for future ultralow-k dielectrics
K. Zagorodniy et al.
APPLIED PHYSICS LETTERS (2010)
Low Dielectric Constant Materials
Willi Volksen et al.
CHEMICAL REVIEWS (2010)
Adsorption of Harmful Organic Vapors by Flexible Hydrophobic Bis-pyrazolate Based MOFs
S. Galli et al.
CHEMISTRY OF MATERIALS (2010)
Hydrogen storage in water-stable metal-organic frameworks incorporating 1,3-and 1,4-benzenedipyrazolate
Hye Jin Choi et al.
ENERGY & ENVIRONMENTAL SCIENCE (2010)
Computational and Experimental Studies on the Adsorption of CO, N2, and CO2 on Mg-MOF-74
L. Valenzano et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Cubic Octanuclear Ni(II) Clusters in Highly Porous Polypyrazolyl-Based Materials
Norberto Masciocchi et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Metal-Organic Frameworks: Opportunities for Catalysis
David Farrusseng et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
The pervasive chemistry of metal-organic frameworks
Jeffrey R. Long et al.
CHEMICAL SOCIETY REVIEWS (2009)
Some suggested perspectives for multifunctional hybrid porous solids
Gerard Ferey
DALTON TRANSACTIONS (2009)
Sorption-Induced Breathing in the Flexible Metal Organic Framework CrMIL-53: Force-Field Simulations and Electronic Structure Analysis
David S. Coombes et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Computational and FTIR spectroscopic studies on carbon monoxide and dinitrogen adsorption on a high-silica H-FER zeolite
P. Nachtigall et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Facile Preparation of Polytopic Azoles: Synthesis, Characterization, and X-ray Powder Diffraction Studies of 1,4-Bis(pyrazol-4-yl)- and 1,4-Bis(tetrazol-5-yl)benzene
Angelo Maspero et al.
CHEMISTRY LETTERS (2008)
Coupled perturbed Hartree-Fock for periodic systems:: The role of symmetry and related computational aspects
Mauro Ferrero et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Calculation of first and second static hyperpolarizabilities of one- to three-dimensional periodic compounds. Implementation in the CRYSTAL code.
Mauro Ferrero et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
The calculation of static polarizabilities of 1-3D periodic compounds.: The implementation in the CRYSTAL code
Mauro Ferrero et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Ab initio simulation of the IR spectra of pyrope, grossular, and andradite
C. M. Zicovich-Wilson et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Role of exposed metal sites in hydrogen storage in MOFs
Jenny G. Vitillo et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Supramolecular isomerism, framework flexibility, unsaturated metal center, and porous property of Ag(I)/Cu(I) 3,3′,5,5′-tetrametyl-4,4′-bipyrazolate
Jie-Peng Zhang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Broadly hysteretic H2 adsorption in the microporous metal-organic framework Co(1,4-benzenedipyrazolate)
Hye Jin Choi et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
The group III-V's semiconductor energy gaps predicted using the B3LYP hybrid functional
S. Tomic et al.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2008)
An evaluation of harmonic vibrational frequency scale factors
Jeffrey P. Merrick et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Interaction of H2 with alkali-metal-exchanged zeolites:: a quantum mechanical study
F. Javier Torres et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2007)
Thermodynamics of reversible gas adsorption on alkali-metal exchanged zeolites -: the interplay of infrared spectroscopy and theoretical calculations
C. Otero Arean et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
FTIR spectroscopy and thermodynamics of hydrogen adsorbed in a cross-linked polymer
Giuseppe Spoto et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Exceptional chemical and thermal stability of zeolitic imidazolate frameworks
Kyo Sung Park et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)
New frontier in transmission IR spectroscopy of molecules adsorbed on high surface area solids: Experiments below liquid nitrogen temperature
G Spoto et al.
CATALYSIS TODAY (2006)
Vibrational and thermodynamic properties of Ar, N2, O2, H2 and CO adsorbed and condensed into (H,Na)-Y zeolite cages as studied by variable temperature IR spectroscopy
EN Gribov et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
Combined theoretical and FTIR spectroscopic studies on hydrogen adsorption on the zeolites Na-FER and K-FER
CO Areán et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Ab-initio prediction of materials properties with CRYSTAL: MOF-5 as a case study
Bartolomeo Civalleri et al.
CRYSTENGCOMM (2006)
Liquid hydrogen in protonic chabazite
A Zecchina et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
New scale factors for harmonic vibrational frequencies using the B3LYP density functional method with the triple-ξ basis set 6-311+G(d,p)
MP Andersson et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Theoretical characterization of dihydrogen adducts with alkaline cations
JG Vitillo et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Variable temperature infrared spectroscopy: A convenient tool for studying the thermodynamics of weak solid-gas interactions
E Garrone et al.
CHEMICAL SOCIETY REVIEWS (2005)
CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals
R Dovesi et al.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE (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)
The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code
F Pascale et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
IR-spectroscopic study of the binding isomerism of adsorbed molecules
AA Tsyganenko et al.
KINETICS AND CATALYSIS (2004)
Cu+(H-2) and Na+(H-2) adducts in exchanged ZSM-5 zeolites
G Spoto et al.
CHEMICAL COMMUNICATIONS (2004)
Carbon monoxide MgO from dispersed solids to single crystals: a review and new advances
G Spoto et al.
PROGRESS IN SURFACE SCIENCE (2004)
Synthesis and characterization of two polymorphic crystalline phases and an amorphous powder of nickel(II) bisimidazolate
N Masciocchi et al.
INORGANIC CHEMISTRY (2003)
Single-crystal structure validation with the program PLATON
AL Spek
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2003)
One-dimensional polymers containing strictly collinear metal ions: Synthesis and XRPD characterization of homoleptic binary metal pyrazolates
N Masciocchi et al.
INORGANIC CHEMISTRY (2002)
Very large breathing effect in the first nanoporous chromium(III)-based solids:: MIL-53 or CrIII(OH)•{O2C-C6H4-CO2}•{HO2C-C6H4-CO2H}x•H2Oy
C Serre et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
On the prediction of band gaps from hybrid functional theory
J Muscat et al.
CHEMICAL PHYSICS LETTERS (2001)
分享论文
