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Research article

First published 2019-5

Accelerating many-nucleon basis generation for high performance computing enabled ab initio nuclear structure studies

Daniel Langr, Tomáš Dytrych, Kristina D Launey [...]

The International Journal of High Performance Computing Applications

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Review article

First published 1998-10

The Use of a Personal Computer-Based Aviation Training Device in Ab Initio Flight Training

Eric A. Vaden, Ken K. Westerlund, Jefferson M. Koonce [...]

Proceedings of the Human Factors and Ergonomics Society Annual Meeting

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Research article

First published 2014-1

Computational study of the transition state of the 2,4-dimethyl-2,4-pentanediol pyrolysis reaction in gas phase by ab initio methods

E. Echeverría, J.A. Guaregua

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2011-2

Ab initio calculations on the hydrogen bonding interactions among pseudoephedrinium cation isomers and methacrylic acid

Zahra Shariatinia, Naghmeh Arabzadeh, Majid Abdous

Main Group Chemistry

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Research article

First published 1999-8

Density Functional Theory and Complete Basis Set Ab Initio Computational Study of Five-,Six-,Seven- and Eight-hydrogen Coordinated Carbon Cations †

Branko S. Jursic

Journal of Chemical Research

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Research article

First published 2002-8

Retinal chromophore photoinduced molecular motion and reactivity: isolated conditions and counterion effects

Marco Garavelli, Fernando Bernardi, Alessandro Cembran [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2009-5

Computational and experimental approaches to determining the structure and interaction potentials of prototypical biological systems

Deborah L. Crittenden

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 1994-1

Spectroscopy of p -Methoxybenzoic Acid: An AM1 and ab Initio Study

M. Alcolea Palafox, M. Gil, J. L. Núñez

Applied Spectroscopy

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Research article

First published 2010-5

The anisotropic polarizability of pairs of hydrogen molecules and the depolarized collision-induced roto-translational Raman light scattering spectra

Xiaoping Li, James F. Harrison, Magnus Gustafsson [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2002-6

Ab Initio Calculation of Thermodynamic and Kinetic Quantities for 1,3-Dipolar Cycloadditions of Benzonitrile Oxide with Various Dipolarophiles †

E. Rajaian, M. Monajjemi, M.R. Gholami

Journal of Chemical Research

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