Research Output 1953 2020

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Comment/debate
2019

Correction: CO2 induced phase transitions in diamine-appended metal-organic frameworks (Chemical Science (2015) 6 (5177-5185) DOI: 10.1039/c5sc01828e)

Vlaisavljevich, B., Schnell, S. K., Dzubak, A. L., Lee, K., Planas, N., Neaton, J. B., Gagliardi, L. & Smit, B., Jan 1 2019, In : Chemical Science. 10, 35, p. 8265-8272 8 p.

Research output: Contribution to journalComment/debate

Open Access
Diamines
Organic chemicals
Phase transitions
Metals
Amines

Correction: Selective Penicillin-Binding Protein Imaging Probes Reveal Substructure in Bacterial Cell Division (ACS Chemical Biology (2012) 7:10 (1746-1753) DOI: 10.1021/cb300329r)

Kocaoglu, O., Calvo, R. A., Sham, L. T., Cozy, L. M., Lanning, B. R., Francis, S., Winkler, M. E., Kearns, D. B. & Carlson, E. E., Jul 2 2019, In : ACS Chemical Biology. 14, 7, 1 p.

Research output: Contribution to journalComment/debate

Penicillin-Binding Proteins
Cell Division
Cells
Imaging techniques
cephalosporin C
Open Access
Physical chemistry
Potential energy surfaces
physical chemistry
electronic spectra
Physics

Double-click enables synthesis of chemical libraries for drug discovery

Topczewski, J. J. & Liu, E. C., Oct 1 2019, In : Nature. 574, 7776, p. 42-43 2 p.

Research output: Contribution to journalComment/debate

Open Access
Combinatorial Chemistry Techniques
Click Chemistry
Organic Chemistry
Small Molecule Libraries
Azides
2018
Atom transfer radical polymerization
Schematic diagrams
Brushes
Chemical vapor deposition
Polymers
1 Citation (Scopus)
Graft copolymers
Macros
electronic spectra
Density functional theory
Physics
density functional theory
physics
2017
3 Citations (Scopus)

Catalysis in MOFs: General discussion

Carraro, F., Chapman, K., Chen, Z., Dincǎ, M., Easun, T., Eddaoudi, M., Farha, O., Forgan, R., Gagliardi, L., Haase, F., Harris, D., Kitagawa, S., Knichal, J., Lamberti, C., Lee, J. S. M., Leus, K., Li, J., Lin, W., Lloyd, G., Long, J. R. & 15 others, Lu, C., Ma, S., McHugh, L., Perez, J. P. H., Ranocchiari, M., Rosi, N., Rosseinsky, M., Ryder, M. R., Ting, V., Van Der Veen, M., Van Der Voort, P., Volkmer, D., Walsh, A., Woods, D. & Yaghi, O. M., Jan 1 2017, In : Faraday Discussions. 201, p. 369-394 26 p.

Research output: Contribution to journalComment/debate

1 Citation (Scopus)

Electronic, magnetic and photophysical properties of MOFs and COFs: General discussion

Banerjee, T., Bennett, T., Butler, K., Easun, T. L., Eddaoudi, M., Forgan, R., Gagliardi, L., Hendon, C., Jorge, M., Lamberti, C., Lee, J. S. M., Leus, K., Li, J., Lin, W., Ranocchiari, M., Rosi, N., Santaclara, J. G., Shevlin, S., Svane, K., Ting, V. & 6 others, Van Der Veen, M., Van Der Voort, P., Walsh, A., Woods, D., Yaghi, O. M. & Zhu, G., Jan 1 2017, In : Faraday Discussions. 201, p. 87-99 13 p.

Research output: Contribution to journalComment/debate

4 Citations (Scopus)
Density functional theory
dissociation
density functional theory
Electronic structure
energy
1 Citation (Scopus)

MOFs modeling and theory: General discussion

Addicoat, M., Butler, K., Farha, O., Gagliardi, L., Hajiahmadi Farmahini, A., Hendon, C., Jorge, M., Kitagawa, S., Lamberti, C., Lee, J. S. M., Li, J., Liu, X., Moggach, S., Ranocchiari, M., Sarkisov, L., Shevlin, S., Stassen, I., Svane, K., Volkmer, D., Walsh, A. & 2 others, Wilmer, C. & Yaghi, O. M., Jan 1 2017, In : Faraday Discussions. 201, p. 233-245 13 p.

Research output: Contribution to journalComment/debate

5 Citations (Scopus)

New directions in gas sorption and separation with MOFs: General discussion

Addicoat, M., Bennett, T., Chapman, K., Denysenko, D., Dincǎ, M., Doan, H., Easun, T., Eddaoudi, M., Farha, O., Gagliardi, L., Haase, F., Hajiahmadi Farmahini, A., Hendon, C., Jorge, M., Kitagawa, S., Lamberti, C., Lee, J. S. M., Leus, K., Li, J., Lin, W. & 16 others, Liu, X., Lloyd, G., Lu, C., Ma, S., Perez, J. P. H., Ranocchiari, M., Rosi, N., Stassen, I., Ting, V., Van Der Veen, M., Van Der Voort, P., Vande Velde, C. M. L., Volkmer, D., Vornholt, S., Walsh, A. & Yaghi, O. M., Jan 1 2017, In : Faraday Discussions. 201, p. 175-194 20 p.

Research output: Contribution to journalComment/debate

Sorption
Gases
Direction compound
2016
1 Citation (Scopus)
Personnel
Aromatic Amino Acids
Ligands
3 Citations (Scopus)
Compatibilizers
Polyethylene
Polymethyl Methacrylate
Grafts
Copolymers
2 Citations (Scopus)
Transition metals
Density functional theory
transition metals
density functional theory
2 Citations (Scopus)

Erratum: Multiconfiguration Pair-Density Functional Theory (J. Chem. Theory Comput. (2014) 10:9 (3669-3680) 10.1021/ct500483t)

Li Manni, G., Carlson, R. K., Luo, S., Ma, D., Olsen, J., Truhlar, D. G. & Gagliardi, L., Jan 12 2016, In : Journal of Chemical Theory and Computation. 12, 1, 1 p.

Research output: Contribution to journalComment/debate

Density functional theory
Excited states
Ground state
Density functional theory
Charge transfer
perturbation theory
2 Citations (Scopus)

Erratum: A Hafnium-Based Metal-Organic Framework as a Nature-Inspired Tandem Reaction Catalyst (Journal of the American Chemical Society (2015) 137 (13624-13631) DOI: 10.1021/jacs.5b08440)

Beyzavi, M. H., Vermeulen, N. A., Howarth, A. J., Tussupbayev, S., League, A. B., Schweitzer, N. M., Gallagher, J. R., Platero-Prats, A. E., Hafezi, N., Sarjeant, A. A., Miller, J. T., Chapman, K. W., Stoddart, J. F., Cramer, C. J., Hupp, J. T. & Farha, O. K., Mar 9 2016, In : Journal of the American Chemical Society. 138, 9, 1 p.

Research output: Contribution to journalComment/debate

Hafnium
Metals
Catalysts
1 Citation (Scopus)

Erratum: From FOX-7 to H-FOX to insensitive energetic materials with hypergolic properties (Chemical Communications (2016) 52 (7668-7671))

Dharavath, S., Mitchell, L., Parrish, D. A. & Shreeve, JN. M., Jan 1 2016, In : Chemical Communications. 52, 52, 1 p.

Research output: Contribution to journalComment/debate

Chemical properties
Communication
2015

Erratum: Femtosecond Trapping of Free Electrons in Ultrathin Films of NaCl on Ag(100)(J. Phys. Chem. Lett.(2014) 5:17 (3073-3077) DOI: 10.1021/jz501572z)

Suich, D. E., Caplins, B. W., Shearer, A. J. & Harris, C. B., Oct 15 2015, In : Journal of Physical Chemistry Letters. 6, 21, 1 p.

Research output: Contribution to journalComment/debate

free electrons
trapping
1 Citation (Scopus)

Erratum: Uranyl-Peroxide Nanocapsules in Aqueous Solution: Force Field Development and First Applications (J. Phys. Chem. C (2014) 118:42 (24730-24740) DOI:10.1021/jp504147s)

Miró, P., Vlaisavljevich, B., Dzubak, A. L., Hu, S., Burns, P. C., Cramer, C., Spezia, R. & Gagliardi, L., Jul 9 2015, In : Journal of Physical Chemistry C. 119, 27, 1 p.

Research output: Contribution to journalComment/debate

Nanocapsules
Peroxides
3 Citations (Scopus)
Molecular vibrations
Physics
10 Citations (Scopus)
Palladium
Catalysis
Demonstrations
Chemical activation
Ligands

Erratum: Publisher's Note: Structural consequences of hydrogen intercalation of epitaxial graphene on SiC(0001) (Applied Physics Letters (2014) 105 (161602))

Emery, J. D., Wheeler, V. D., Johns, J. E., McBriarty, M. E., Detlefs, B., Hersam, M. C., Kurt Gaskill, D. & Bedzyk, M. J., Nov 2 2015, In : Applied Physics Letters. 107, 18, 189902.

Research output: Contribution to journalComment/debate

intercalation
graphene
physics
hydrogen
Macromolecules
Self assembly
Block copolymers
Gels
Ions
1 Citation (Scopus)
self consistent fields
potential energy
physics
4 Citations (Scopus)

Erratum: Evidence for an oxygen evolving iron-oxo-cerium intermediate in iron-catalysed water oxidation (Nature Communications (2015) 6 (5865) DOI: 10.1038/ncomms6865)

Codolà, Z., Gómez, L., Kleespies, S. T., Que, L., Costas, M. & Lloret-Fillol, J., Jan 1 2015, In : Nature communications. 6, 6405.

Research output: Contribution to journalComment/debate

Cerium
cerium
Iron
communication
Oxygen
1 Citation (Scopus)
Self assembly
self assembly
Agglomeration
acids
Acids

Erratum: "carrier heating and negative photoconductivity in graphene" (Journal of Applied Physics (2015) 117 (015101) DOI: 10.1063/1.4905192)

Heyman, J. N., Stein, J. D., Kaminski, Z. S., Banman, A. R., Massari, A. M. & Robinson, J. T., Mar 28 2015, In : Journal of Applied Physics. 117, 12, 129902.

Research output: Contribution to journalComment/debate

photoconductivity
graphene
physics
heating
2014

Corrigendum to 'quantitative detection of nitroxyl upon trapping with glutathione and labeling with a specific fluorogenic reagent' [Free radical biology and medicine 63(2013) 476-484]

Johnson, G. M., Chozinski, T. J., Salmon, D. J., Moghaddam, A. D., Chen, H. C. & Miranda, K. M., Jan 1 2014, In : Free Radical Biology and Medicine. 77, 1 p.

Research output: Contribution to journalComment/debate

Labeling
Medicine
Free Radicals
Glutathione
nitroxyl
Bicarbonates
Catalysis
Copper
Oxidation
Water

Erratum: Obtaining detailed structural information about supramolecular systems on surfaces by combining high-resolution force microscopy with ab initio calculations (ACS Nano (2013) 7 (9098-9105) DOI:10.1021/nn403672m)

Kawai, S., Sadeghi, A., Xu, F., Peng, L., Pawlak, R., Glatzel, T., Willand, A., Orita, A., Otera, J., Goedecker, S. & Meyer, E., Mar 25 2014, In : ACS Nano. 8, 3, 1 p.

Research output: Contribution to journalComment/debate

16 Citations (Scopus)

Erratum: Global ab initio ground-state potential energy surface of N 4 (Journal of Chemical Physics (2013) 139 (044309))

Paukku, Y., Yang, K. R., Varga, Z. & Truhlar, D. G., Jan 14 2014, In : Journal of Chemical Physics. 140, 1, 019903.

Research output: Contribution to journalComment/debate

Potential energy surfaces
Ground state
Physics
potential energy
physics

Erratum: Electronic and exchange coupling in a cross-conjugated D-B-A biradical: Mechanistic implications for quantum interference effects (Journal of the American Chemical Society (2013) 135 (14713-14725) DOI: 10.1021/ja405354x)

Kirk, M. L., Shultz, D. A., Stasiw, D. E., Habel-Rodriguez, D., Stein, B. & Boyle, P. D., Mar 12 2014, In : Journal of the American Chemical Society. 136, 10, 1 p.

Research output: Contribution to journalComment/debate

Exchange coupling
DNA Adducts
Mass Spectrometry
1,3-butadiene
2013
molecular spectroscopy
tensors
Physical chemistry
physical chemistry
Solvation
solvation
Spectroscopy

Erratum: Chloride sensing via suppression of excited state intramolecular proton transfer in squaramides (Chemical Communications (2013) 49 (1633-1635) DOI: 10.1039/c3cc38767d)

Porel, M., Ramalingam, V., Domaradzki, M. E., Young, V. G., Ramamurthy, V. & Muthyala, R. S., Nov 29 2013, In : Chemical Communications. 49, 100, 1 p.

Research output: Contribution to journalComment/debate

Proton transfer
Excited states
Chlorides
Communication
1 Citation (Scopus)

Erratum: Bioanalysis of eukaryotic organelles (Chemical Reviews (2013) 13: 4 (2733-2811) DOI: 10.1021/cr300354g)

Satori, C. P., Henderson, M. M., Krautkramer, E. A., Kostal, V., Distefano, M. D. & Arriaga, E., Jul 10 2013, In : Chemical Reviews. 113, 7, 1 p.

Research output: Contribution to journalComment/debate

8 Citations (Scopus)

Erratum: elucidating band-selective sensitization in iron(II) polypyridine-TiO2 assemblies (Inorganic Chemistry (2013) 52 :15 (8621-8628) DOI: 10.1021/ic4007839)

Bowman, D., Blew, J. H., Tsuchiya, T. & Jakubikova, E., Dec 16 2013, In : Inorganic Chemistry. 52, 24, 1 p.

Research output: Contribution to journalComment/debate

inorganic chemistry
assemblies
Iron
iron
Inorganic Chemistry

Erratum to "Optimization of gradient reversed phase chromatographic peak capacity for low molecular weight solutes" [J. Chromatogr. A 1273 (2013) 57-65]

Soliven, A., Haidar Ahmad, I. A., Filgueira, M. R. & Carr, P. W., Nov 8 2013, In : Journal of Chromatography A. 1315, 1 p.

Research output: Contribution to journalComment/debate

Molecular weight
2012
2 Citations (Scopus)
Molecular orbitals
2 Citations (Scopus)
Vitamins
Isomerization
Vitamin D