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gregory chass
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Easily prepared air‐and moisture‐stable Pd–NHC (NHC= N‐heterocyclic carbene) complexes: a reliable, user‐friendly, highly active palladium precatalyst for the Suzuki–Miyaura …
CJ O'Brien, EAB Kantchev, C Valente, N Hadei, GA Chass, A Lough, ...
Chemistry–A European Journal 12 (18), 4743-4748, 2006
10222006
Recycling the waste: the development of a catalytic wittig reaction.
CJ O'Brien, JL Tellez, ZS Nixon, LJ Kang, AL Carter, SR Kunkel, ...
ChemInform 12 (2), i, 2010
3542010
Lithium batteries and the solid electrolyte interphase (SEI)—progress and outlook
H Adenusi, GA Chass, S Passerini, KV Tian, G Chen
Advanced energy materials 13 (10), 2203307, 2023
3372023
Pd-NHC (PEPPSI) complexes: Synthetic utility and computational studies into their reactivity
MG Organ, GA Chass, DC Fang, AC Hopkinson, C Valente
Synthesis 2008 (17), 2776-2797, 2008
1702008
Towards the rational design of palladium-N-heterocyclic carbene catalysts by a combined experimental and computational approach
CJ O'Brien, EAB Kantchev, GA Chass, N Hadei, AC Hopkinson, ...
Tetrahedron 61 (41), 9723-9735, 2005
1702005
An ab initio computational study on selected lycopene isomers
GA Chasse, ML Mak, E Deretey, I Farkas, LL Torday, JG Papp, ...
Journal of Molecular Structure: THEOCHEM 571 (1-3), 27-37, 2001
1432001
Density functional theory investigation of the alkyl–alkyl Negishi cross‐coupling reaction catalyzed by N‐heterocyclic carbene (NHC)–Pd complexes
GA Chass, CJ O'Brien, N Hadei, EAB Kantchev, WH Mu, DC Fang, ...
Chemistry–A European Journal 15 (17), 4281-4288, 2009
1122009
Persistently folded circular aromatic amide pentamers containing modularly tunable cation-binding cavities with high ion selectivity
B Qin, C Ren, R Ye, C Sun, K Chiad, X Chen, Z Li, F Xue, H Su, GA Chass, ...
Journal of the American Chemical Society 132 (28), 9564-9566, 2010
1012010
Atomic and vibrational origins of mechanical toughness in bioactive cement during setting
KV Tian, B Yang, Y Yue, DT Bowron, J Mayers, RS Donnan, ...
Nature communications 6 (1), 8631, 2015
762015
A quantitative scale for the extent of conjugation of the amide bond. Amidity percentage as a chemical driving force
Z Mucsi, A Tsai, M Szori, GA Chass, B Viskolcz, IG Csizmadia
The Journal of Physical Chemistry A 111 (50), 13245-13254, 2007
702007
The gas-phase dipeptide analogue acetyl-phenylalanyl-amide: A model for the study of side chain/backbone interactions in proteins
W Chin, M Mons, JP Dognon, R Mirasol, G Chass, I Dimicoli, F Piuzzi, ...
The Journal of Physical Chemistry A 109 (24), 5281-5288, 2005
702005
Toward a computed peptide structure database: The role of a universal atomic numbering system of amino acids in peptides and internal hierarchy of database
GA Chass, MA Sahai, JMS Law, S Lovas, Ö Farkas, A Perczel, JL Rivail, ...
International journal of quantum chemistry 90 (2), 933-968, 2002
652002
Balancing the atomic waistline: Isodensity‐based scrf radii for main‐group elements and transition metals
JY Tao, WH Mu, GA Chass, TH Tang, DC Fang
International Journal of Quantum Chemistry 113 (7), 975-984, 2013
632013
Amidicity change as a significant driving force and thermodynamic selection rule of transamidation reactions. A synergy between experiment and theory
Z Mucsi, GA Chass, IG Csizmadia
The Journal of Physical Chemistry B 112 (26), 7885-7893, 2008
632008
Peptide and protein folding
GA Chasse, AM Rodriguez, ML Mak, E Deretey, A Perczel, CP Sosa, ...
Journal of Molecular Structure: THEOCHEM 537 (1-3), 319-361, 2001
552001
Pd(OAc)2-Catalyzed C–H Activation/C–O Cyclization: Mechanism, Role of OxidantProbed by Density Functional Theory
B Lian, L Zhang, GA Chass, DC Fang
The Journal of Organic Chemistry 78 (17), 8376-8385, 2013
392013
First principle computational study on the full conformational space of l-proline diamides
MA Sahai, TAK Kehoe, JCP Koo, DH Setiadi, GA Chass, B Viskolcz, ...
The Journal of Physical Chemistry A 109 (11), 2660-2679, 2005
352005
Ab initio and DFT conformational analysis of selected flavones: 5, 7-dihydroxyflavone (chrysin) and 7, 8-dihydroxyflavone
KS Lau, A Mantas, GA Chass, FH Ferretti, M Estrada, G Zamarbide, ...
Canadian journal of chemistry 80 (7), 845-855, 2002
352002
Qualitative assessment of microstructure and Hertzian indentation failure in biocompatible glass ionomer cements
KV Tian, PM Nagy, GA Chass, P Fejerdy, JW Nicholson, IG Csizmadia, ...
Journal of Materials Science: Materials in Medicine 23, 677-685, 2012
342012
Quantitative scale for the extent of conjugation of carbonyl groups:“Carbonylicity” percentage as a chemical driving force
Z Mucsi, GA Chass, B Viskolcz, IG Csizmadia
The Journal of Physical Chemistry A 112 (38), 9153-9165, 2008
342008
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Články 1–20