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Prodotti della tipologia (ordinati per Data di deposito in Decrescente ordine): 12.241 a 12.260 di 47.997

Cascade Reaction by Chemo- and Biocatalytic Approaches to Obtain Chiral Hydroxy Ketones and anti 1,3-Diols

2018-01-01 Gandolfi, R.; Facchetti, G.; Christodoulou, M. S.; Fuse', M.; Meneghetti, F.; Rimoldi, I.

Asymmetric hydrogenation of 1-aryl substituted-3,4-dihydroisoquinolines with iridium catalysts bearing different phosphorus-based ligands

2020-01-01 Facchetti, G.; Christodoulou, M. S.; Binda, E.; Fuse', M.; Rimoldi, I.

Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality

2018-01-01 Salvadori, Andrea; Fusè, Marco; Mancini, Giordano; Rampino, Sergio; Barone, Vincenzo

Ruthenium(II) complexes bearing (NNN) ligand: Catalytic evaluation of different solvent-mediated coordination modes

2018-01-01 Pellegrino, Sara; Facchetti, Giorgio; Gandolfi, Raffella; Fusè, Marco; Erba, Emanuela; Rimoldi, Isabella

8-Amino-5,6,7,8-tetrahydroquinolines as ligands in iridium(III) catalysts for the reduction of aryl ketones by asymmetric transfer hydrogenation (ATH)

2014-01-01 Zerla, D.; Facchetti, G.; Fusè, M.; Pellizzoni, M.; Castellano, C.; Cesarotti, E.; Gandolfi, R.; Rimoldi, I.

Exploring the maze of cycloserine conformers in the gas phase guided by microwave spectroscopy and quantum chemistry

2021-01-01 Alonso, E. R.; Fuse', M.; Leon, I.; Puzzarini, C.; Alonso, J. L.; Barone, V.

Vibrational circular dichroism under the quantum magnifying glass: from the electronic flow to the spectroscopic observable

2019-01-01 Fusè, Marco; Egidi, Franco; Bloino, Julien

Two-level stochastic search of low-energy conformers for molecular spectroscopy: Implementation and validation of MM and QM models

2019-01-01 Chandramouli, B.; Del Galdo, S.; Fuse, M.; Barone, V.; Mancini, G.

A computational journey across nitroxide radicals: From structure to spectroscopic properties and beyond

2021-01-01 Barone, V.; Fuse', M.; Pinto, S. M. V.; Tasinato, N.

CPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach

2020-01-01 Del Galdo, S.; Fuse', M.; Barone, V.

Diastereoselectivity and catalytic activity in ruthenium complexes chiral at the metal centre

2014-01-01 Zerla, Daniele S.; Rimoldi, Isabella; Cesarotti, Edoardo; Facchetti, Giorgio; Pellizzoni, Michela; Fusè, Marco

Diastereoselectivity and catalytic activity in ruthenium complexes chiral at the metal centre

2014-01-01 Zerla, D. S.; Rimoldi, I.; Cesarotti, E.; Facchetti, G.; Pellizzoni, M.; Fusè, M.

New sp3diphosphine-based rhodium catalysts for the asymmetric conjugate addition of aryl boronic acids to 3-azaarylpropenones

2021-01-01 Facchetti, G.; Fuse', M.; Pecoraro, T.; Nava, D.; Rimoldi, I.

8-Amino-5,6,7,8-tetrahydroquinolines as ligands in iridium(III) catalysts for the reduction of aryl ketones by asymmetric transfer hydrogenation (ATH)

2014-01-01 Zerla, Daniele; Facchetti, Giorgio; Fuse', Marco; Pellizzoni, Michela; Castellano, Carlo; Cesarotti, Edoardo; Gandolfi, Raffaella; Rimoldi, Isabella

Accuracy meets interpretability for computational spectroscopy by means of hybrid and double-hybrid functionals

2020-01-01 Barone, V.; Ceselin, G.; Fuse', M.; Tasinato, N.

Exploiting coordination geometry to selectively predict the r-donor and p-acceptor abilities of ligands: A back-and-forth journey between electronic properties and spectroscopy

2018-01-01 Fuse', M.; Rimoldi, I.; Facchetti, G.; Rampino, S.; Barone, V.

Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene

2021-01-01 Yang, Q.; Fuse, M.; Bloino, J.; Barone, V.

Synthesis and crystallographic structure of nickel(0) carbonyl complex with Bitianp, an atropoisomeric diphosphine

2019-01-01 Fuse', Marco; Giorgio, Facchetti; Isabella, Rimoldi; Carlo, Castellano

Computational simulation of vibrationally resolved spectra for spin-forbidden transitions

2018-01-01 Egidi, Franco; Fusè, Marco; Baiardi, Alberto; Bloino, Julien; Xiaosong, Li; Barone, Vincenzo

Simple 1,3-diamines and their application as ligands in ruthenium(II) catalysts for asymmetric transfer hydrogenation of aryl ketones

2015-01-01 Facchetti, Giorgio; Gandolfi, Raffaella; Fusè, Marco; Zerla, Daniele; Cesarotti, Edoardo; Pellizzoni, Michela; Rimoldi, Isabella

Titolo	Data di pubblicazione	Autore(i)
Cascade Reaction by Chemo- and Biocatalytic Approaches to Obtain Chiral Hydroxy Ketones and anti 1,3-Diols	1-gen-2018	Gandolfi, R.; Facchetti, G.; Christodoulou, M. S.; Fuse', M.; Meneghetti, F.; Rimoldi, I.
Asymmetric hydrogenation of 1-aryl substituted-3,4-dihydroisoquinolines with iridium catalysts bearing different phosphorus-based ligands	1-gen-2020	Facchetti, G.; Christodoulou, M. S.; Binda, E.; Fuse', M.; Rimoldi, I.
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality	1-gen-2018	Salvadori, Andrea; Fusè, Marco; Mancini, Giordano; Rampino, Sergio; Barone, Vincenzo
Ruthenium(II) complexes bearing (NNN) ligand: Catalytic evaluation of different solvent-mediated coordination modes	1-gen-2018	Pellegrino, Sara; Facchetti, Giorgio; Gandolfi, Raffella; Fusè, Marco; Erba, Emanuela; Rimoldi, Isabella
8-Amino-5,6,7,8-tetrahydroquinolines as ligands in iridium(III) catalysts for the reduction of aryl ketones by asymmetric transfer hydrogenation (ATH)	1-gen-2014	Zerla, D.; Facchetti, G.; Fusè, M.; Pellizzoni, M.; Castellano, C.; Cesarotti, E.; Gandolfi, R.; Rimoldi, I.
Exploring the maze of cycloserine conformers in the gas phase guided by microwave spectroscopy and quantum chemistry	1-gen-2021	Alonso, E. R.; Fuse', M.; Leon, I.; Puzzarini, C.; Alonso, J. L.; Barone, V.
Vibrational circular dichroism under the quantum magnifying glass: from the electronic flow to the spectroscopic observable	1-gen-2019	Fusè, Marco; Egidi, Franco; Bloino, Julien
Two-level stochastic search of low-energy conformers for molecular spectroscopy: Implementation and validation of MM and QM models	1-gen-2019	Chandramouli, B.; Del Galdo, S.; Fuse, M.; Barone, V.; Mancini, G.
A computational journey across nitroxide radicals: From structure to spectroscopic properties and beyond	1-gen-2021	Barone, V.; Fuse', M.; Pinto, S. M. V.; Tasinato, N.
CPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach	1-gen-2020	Del Galdo, S.; Fuse', M.; Barone, V.
Diastereoselectivity and catalytic activity in ruthenium complexes chiral at the metal centre	1-gen-2014	Zerla, Daniele S.; Rimoldi, Isabella; Cesarotti, Edoardo; Facchetti, Giorgio; Pellizzoni, Michela; Fusè, Marco
Diastereoselectivity and catalytic activity in ruthenium complexes chiral at the metal centre	1-gen-2014	Zerla, D. S.; Rimoldi, I.; Cesarotti, E.; Facchetti, G.; Pellizzoni, M.; Fusè, M.
New sp3diphosphine-based rhodium catalysts for the asymmetric conjugate addition of aryl boronic acids to 3-azaarylpropenones	1-gen-2021	Facchetti, G.; Fuse', M.; Pecoraro, T.; Nava, D.; Rimoldi, I.
8-Amino-5,6,7,8-tetrahydroquinolines as ligands in iridium(III) catalysts for the reduction of aryl ketones by asymmetric transfer hydrogenation (ATH)	1-gen-2014	Zerla, Daniele; Facchetti, Giorgio; Fuse', Marco; Pellizzoni, Michela; Castellano, Carlo; Cesarotti, Edoardo; Gandolfi, Raffaella; Rimoldi, Isabella
Accuracy meets interpretability for computational spectroscopy by means of hybrid and double-hybrid functionals	1-gen-2020	Barone, V.; Ceselin, G.; Fuse', M.; Tasinato, N.
Exploiting coordination geometry to selectively predict the r-donor and p-acceptor abilities of ligands: A back-and-forth journey between electronic properties and spectroscopy	1-gen-2018	Fuse', M.; Rimoldi, I.; Facchetti, G.; Rampino, S.; Barone, V.
Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene	1-gen-2021	Yang, Q.; Fuse, M.; Bloino, J.; Barone, V.
Synthesis and crystallographic structure of nickel(0) carbonyl complex with Bitianp, an atropoisomeric diphosphine	1-gen-2019	Fuse', Marco; Giorgio, Facchetti; Isabella, Rimoldi; Carlo, Castellano
Computational simulation of vibrationally resolved spectra for spin-forbidden transitions	1-gen-2018	Egidi, Franco; Fusè, Marco; Baiardi, Alberto; Bloino, Julien; Xiaosong, Li; Barone, Vincenzo
Simple 1,3-diamines and their application as ligands in ruthenium(II) catalysts for asymmetric transfer hydrogenation of aryl ketones	1-gen-2015	Facchetti, Giorgio; Gandolfi, Raffaella; Fusè, Marco; Zerla, Daniele; Cesarotti, Edoardo; Pellizzoni, Michela; Rimoldi, Isabella

Prodotti della tipologia (ordinati per Data di deposito in Decrescente ordine): 12.241 a 12.260 di 47.997

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