검색결과 : 9건
| No. | Article |
|---|---|
| 1 |
Unveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational Methods Yepes D, Neese F, List B, Bistoni G Journal of the American Chemical Society, 142(7), 3613, 2020 |
| 2 |
Dispersion Forces Drive the Formation of Uranium-Alkane Adducts Jung J, Loffler ST, Langmann J, Heinemann FW, Bill E, Bistoni G, Scherer W, Atanasov M, Meyer K, Neese F Journal of the American Chemical Society, 142(4), 1864, 2020 |
| 3 |
Formyltetrahydrofolate Decarbonylase Synthesizes the Active Site CO Ligand of O-2-Tolerant [NiFe] Hydrogenase Schulz AC, Frielingsdorf S, Pommerening P, Lauterbach L, Bistoni G, Neese F, Oestreich M, Lenz O Journal of the American Chemical Society, 142(3), 1457, 2020 |
| 4 |
Physical Nature of Differential Spin-State Stabilization of Carbenes by Hydrogen and Halogen Bonding: A Domain-Based Pair Natural Orbital Coupled Cluster Study Shirazi RG, Neese F, Pantazis DA, Bistoni G Journal of Physical Chemistry A, 123(24), 5081, 2019 |
| 5 |
Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers Neese F, Atanasov M, Bistoni G, Maganas D, Ye SF Journal of the American Chemical Society, 141(7), 2814, 2019 |
| 6 |
Scalable and Highly Diastereo- and Enantioselective Catalytic Diels-Alder Reaction of alpha,beta-Unsaturated Methyl Esters Gatzenmeier T, Turberg M, Yepes D, Xie YW, Neese F, Bistoni G, List B Journal of the American Chemical Society, 140(40), 12671, 2018 |
| 7 |
pi Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis Bistoni G, Belanzoni P, Belpassi L, Tarantelli F Journal of Physical Chemistry A, 120(27), 5239, 2016 |
| 8 |
When the Tolman Electronic Parameter Fails: A Comparative DFT and Charge Displacement Study of [(L)Ni(CO)(3)](0/-) and [(L)Au(CO)(0/+) Ciancaleoni G, Scafuri N, Bistoni G, Macchioni A, Tarantelli F, Zuccaccia D, Belpassi L Inorganic Chemistry, 53(18), 9907, 2014 |
| 9 |
Charge-Displacement Analysis of the Interaction in the Ammonia-Noble Gas Complexes Bistoni G, Belpassi L, Tarantelli F, Pirani F, Cappelletti D Journal of Physical Chemistry A, 115(51), 14657, 2011 |