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
Recycling the waste: the development of a catalytic Wittig reaction
CJ O'Brien, JL Tellez, ZS Nixon, LJ Kang, AL Carter, SR Kunkel, ...
Angewandte Chemie International Edition 48 (37), 6836-6839, 2009
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Characterization of the Conformational Probability of N-Acetyl-Phenylalanyl-NH2 by RHF, DFT, and MP2 Computation and AIM Analyses, Confirmed by Jet-Cooled …
GA Chass, RS Mirasol, DH Setiadi, TH Tang, W Chin, M Mons, I Dimicoli, ...
The Journal of Physical Chemistry A 109 (24), 5289-5302, 2005
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
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
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