Dai’s paper “Insight into the Decomposition Mechanism of Donor−Acceptor Complexes of EH2 (E = Ge and Sn) and Access to Germanium Thin Films from Solution” in collaboration with the Rivard group is accepted in Inorg. Chem. Congratulations also to Rivard grad student Jocelyn on her first paper! The computational ideas in this paper were first explored with two CHEM 401/403 undergraduates: Tyler Ries and Hanseul Kim.

  Category: Publications

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July 17th, 2020

Congratulations to Dai on his paper with the Rivard group

Dai’s paper “Insight into the Decomposition Mechanism of Donor−Acceptor Complexes of EH2 (E = Ge and Sn) and Access to Germanium […]

May 12th, 2020

Maria’s paper is accepted into Frontiers in Molecular Biosciences

Maria’s paper, in collaboration with Jógvan Magnus Haugaard Olsen (UiT), is accepted into the Special Issue Mechanisms of Fluorescent Proteins hosted […]

December 16th, 2019

Congratulations to Antoine whose paper is accepted into J. Chem. Phys.

Antoine’s paper “Vibrational states of deuterated trans- and cis-formic acid: DCOOH, HCOOD, and DCOOD,” involving collaboration with Philippe Carbonnière and […]

October 2nd, 2019

Ekadashi has a paper accepted in Mol. Phys.

Ekadashi’s paper entitled “The Lowest Lying Excited Electronic States for HFCO including a Potential Energy Surface for S1 in Sum-of-Products […]

May 21st, 2019

Antoine’s paper accepted into J. Chem. Phys. (Now online!)

Antoine’s paper ” A Revised Nuclear Quadrupole Moment for Aluminum: Theoretical Nuclear Quadrupole Coupling Constants of Aluminum Compounds” based work […]

March 21st, 2019

Congratulations to Maria on having her (first!) paper accepted into JCTC

Maria’s paper “Determination of Two-photon Absorption Cross-sections using Time-dependent Density Functional Theory Tight-binding: Application to Fluorescent Protein Chromophores”  has been […]

September 27th, 2018

Collaborative paper with Rivard and He groups accepted into Angew. Chemie.

Our collaborative paper, spearhead-headed by the Rivard group and graduate student Sarah Parke, was recently accepted into Angew. Chemie. Check […]

May 9th, 2018

Congratulations to Yusuf on paper accepted in JPCB

Yusuf’s paper entitled “Two-Photon Absorption Properties of Gold Fluorescent Protein: A Combined Molecular Dynamics and Quantum Chemistry Study” has been […]

October 31st, 2017

Alex’s first collaborative work with Lundgren group accepted in Chem. Sci.

Alex performed some computational work in support of an excellent experimental contribution from the Lundgren group. The paper “Z-Selective Iridium-Catalyzed […]

September 19th, 2017

Congratulations to Inara on paper accepted in ACS-AMI

Congratulations to Inara de Aguiar (post-doc co-supervised with Prof. Gabriel Cruz e Souza, UFMT, Brazil) on her paper accepted in […]