Alexander Gaenko

发表

Multi-Level Parallelization of the Fragment Molecular Orbital Method in GAMESS

Spencer R Pruitt, M. Gordon, D. Fedorov, 2021 .

Nucleation Using the Effective Fragment Potential and Two‐Level Parallelism

M. Gordon, T. Windus, Alexander Gaenko, 2017 .

Ab initio DFT study of Z–E isomerization pathways of N–benzylideneaniline

Roland Lindh, Giorgio Orlandi, Laura Gagliardi, 2007 .

Structural and photoluminescence properties of excited state intramolecular proton transfer capable compounds-potential emissive and electron transport materials.

U. Ryde, Alexander Gaenko, A. Devarajan, 2006, The journal of physical chemistry. A.

Synthesis and structure of tris(5-phenyltetrazol-1-yl)methane

Alexander Gaenko, G. Gurskaya, V. Zavodnik, 2007 .

Effect of covalent links on the structure, spectra, and redox properties of myeloperoxidase--a density functional study.

U. Ryde, Alexander Gaenko, A. Devarajan, 2008, Journal of inorganic biochemistry.

Updated core libraries of the ALPS project

X. Chen, T. Chen, Hiroshi Shinaoka, 2016, Comput. Phys. Commun..

Role of Electronic Curve Crossing of Benzene S-1 State in the Photodissociation of Aryl Halides, Effect of Fluorination: RASSI-SO MS-CASPT2 Study

Roland Lindh, Per-Åke Malmqvist, P. Malmqvist, 2009 .

Interfacing the Ab initio multiple spawning method with electronic structure methods in GAMESS: Photodecay of trans-azomethane.

T. Martínez, M. Gordon, A. Defusco, 2014, The journal of physical chemistry. A.

Design and Implementation of Scientific Software Components to Enable Multiscale Modeling: The Effective Fragment Potential (QM/EFP) Method.

Masha Sosonkina, Alexander Gaenko, Mark S Gordon, 2013, Journal of chemical theory and computation.

Shared-memory parallelization of a local correlation multi-reference CI program

Mark S. Gordon, Theresa L. Windus, Emily A. Carter, 2014, Comput. Phys. Commun..

Two-component relativistic density functional method for computing nonsingular complex linear response of molecules based on the zeroth order regular approximation.

Alexander Gaenko, Jochen Autschbach, Alexander Gaenko, 2009, The Journal of chemical physics.

Generalized van Vleck perturbation theory (GVVPT2) study of the excited states of benzene and the azabenzenes.

M. Hoffmann, Y. Khait, Alexander Gaenko, 2008, Journal of Physical Chemistry A.