화학공학소재연구정보센터
검색결과 : 13건
No. Article
1 SSAIMS-Stochastic-Selection Ab Initio Multiple Spawning for Efficient Nonadiabatic Molecular Dynamics
Curchod BFE, Glover WJ, Martinez TJ
Journal of Physical Chemistry A, 124(30), 6133, 2020
2 Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins (vol 141, pg 17112, 2019)
Eymann LYM, Varava P, Shved AM, Curchod BFE, Liu Y, Planes OM, Sienkiewicz A, Scopelliti R, Tirani FF, Severin K
Journal of the American Chemical Society, 142(2), 1112, 2020
3 Photoelectron Spectroscopy of the Hexafluorobenzene Cluster Anions: (C6F6)(n)(-) (n=1-5) and I-(C6F6)
Rogers JP, Anstoter CS, Bull JN, Curchod BFE, Verlet JRR
Journal of Physical Chemistry A, 123(8), 1602, 2019
4 Excited-State Molecular Dynamics Triggered by Light Pulses-Ab Initio Multiple Spawning vs Trajectory Surface Hopping
Mignolet B, Curchod BFE
Journal of Physical Chemistry A, 123(16), 3582, 2019
5 Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins
Eymann LYM, Varava P, Shved AM, Curchod BFE, Liu YZ, Planes OM, Sienkiewicz A, Scopelliti R, Tirani FF, Severin K
Journal of the American Chemical Society, 141(43), 17112, 2019
6 Ab Initio Nonadiabatic Quantum Molecular Dynamics
Curchod BFE, Martinez TJ
Chemical Reviews, 118(7), 3305, 2018
7 Synthesis and Characterization of a Series of Bis-homoleptic Cycloruthenates with Terdentate Ligands as a Family of Panchromatic Dyes
Rees TW, Liao JF, Sinopoli A, Male L, Calogero G, Curchod BFE, Baranoff E
Inorganic Chemistry, 56(16), 9903, 2017
8 Ab Initio Multiple Spawning Photochemical Dynamics of DMABN Using GPUs
Curchod BFE, Sisto A, Martinez TJ
Journal of Physical Chemistry A, 121(1), 265, 2017
9 Characterization of the Photochemical Properties of 5-Benzyluracil via Time-Dependent Density Functional Theory
Micciarelli M, Curchod BFE, Bonella S, Altucci C, Valadan M, Rothlisberger U, Tavernelli I
Journal of Physical Chemistry A, 121(20), 3909, 2017
10 The Charge Transfer Problem in Density Functional Theory Calculations of Aqueously Solvated Molecules
Isborn CM, Mar BD, Curchod BFE, Tavernelli I, Martinez TJ
Journal of Physical Chemistry B, 117(40), 12189, 2013