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Chemical Communications (Cambridge, England)|October 30, 2010
Asymmetric total synthesis of (+)-fumimycin via 1,2-addition to ketiminesPatrick J Gross, Filipp Furche, Martin Nieger, et al.
Scientific Reports|January 27, 2015
Uncertainty of prebiotic scenarios: the case of the non-enzymatic reverse tricarboxylic acid cycleDmitry Yu Zubarev, Dmitrij Rappoport, Alán Aspuru-Guzik
The Journal of Chemical Physics|June 8, 2026
Prospects for detecting UF6 hydrolysis intermediates by mass spectrometry, resonance Raman, and NQR spectroscopyJesse J Lutz, Dmitrij Rappoport, Louis E McNamara
Inorganic Chemistry|May 6, 2025
Theoretical Characterization of Bis(pentaisopropylcyclopentadienyl) Rare-Earth MetallocenesAhmadreza Rajabi, Dang Khoa Nguyen, Robin Grotjahn, et al.
Physical Chemistry Chemical Physics : PCCP|September 27, 2013
Ab initio non-adiabatic molecular dynamicsEnrico Tapavicza, Gregory D Bellchambers, Jordan C Vincent, et al.
The Journal of Chemical Physics|February 16, 2015
First-order derivative couplings between excited states from adiabatic TDDFT response theoryQi Ou, Gregory D Bellchambers, Filipp Furche, et al.
The Journal of Chemical Physics|October 10, 2019
Effective one-particle energies from generalized Kohn-Sham random phase approximation: A direct approach for computing and analyzing core ionization energiesVamsee K Voora, Randima Galhenage, John C Hemminger, et al.
The Journal of Chemical Physics|May 9, 2016
Accelerating molecular property calculations with nonorthonormal Krylov space methodsFilipp Furche, Brandon T Krull, Brian D Nguyen, et al.
The Journal of Physical Chemistry. A|July 16, 2024
Chemically Accurate Singlet-Triplet Gaps of Arylcarbenes from Local Hybrid Density FunctionalsRobin Grotjahn, Justin Purnomo, Dayun Jin, et al.
Journal of Chemical Theory and Computation|November 19, 2015
Analytical First-Order Molecular Properties and Forces within the Adiabatic Connection Random Phase ApproximationAsbjörn M Burow, Jefferson E Bates, Filipp Furche, et al.
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