GAUSSIAN

Gaussian is an electronic structure program, used by chemists, chemical engineers, biochemists, physicists and others for research in established and emerging areas of chemical interest. Starting from the basic laws of quantum mechanics, Gaussian predicts the energies, molecular structures, and vibrational frequencies of molecular systems, along with numerous molecular properties derived from these basic computation types. It can be used to study molecules and reactions under a wide range of conditions, including both stable species and compounds which are difficult or impossible to observe experimentally such as short-lived intermediates and transition structures. (Source: http://www.psc.edu/)


References in zbMATH (referenced in 144 articles )

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  1. Bai, Long; Dȩbicki, Krzysztof; Hashorva, Enkelejd; Luo, Li: On generalised Piterbarg constants (2018)
  2. Sottinen, Tommi; Viitasaari, Lauri: Conditional-mean hedging under transaction costs in Gaussian models (2018)
  3. Hamdi, Hamidreza; Couckuyt, Ivo; Sousa, Mario Costa; Dhaene, Tom: Gaussian processes for history-matching: application to an unconventional gas reservoir (2017)
  4. Ian H. Williams, Philippe B. Wilson: SULISO: The Bath suite of vibrational characterization and isotope effect calculation software (2017)
  5. Khoromskaia, Venera; Khoromskij, Boris N.: Block circulant and Toeplitz structures in the linearized Hartree-Fock equation on finite lattices: tensor approach (2017)
  6. Leszczynski, Jerzy (ed.); Kaczmarek-Kedziera, Aanna (ed.); Puzyn, Tomasz (ed.); Papadopoulos, Manthos G. (ed.); Reis, Heribert (ed.); Shukla, Manoj K. (ed.): Handbook of computational chemistry (2017)
  7. Lu, Nan; Bu, Yuxiang; Luo, Guimei: Cu-wire-mediated dipyrimidine base pairs as the building blocks for conductive and magnetic Cu-DNA nanowires (2017)
  8. Qiming Sun, Timothy C. Berkelbach, Nick S. Blunt, George H. Booth, Sheng Guo, Zhendong Li, Junzi Liu, James McClain, Sandeep Sharma, Sebastian Wouters, Garnet Kin-Lic Chan: The Python-based Simulations of Chemistry Framework (PySCF) (2017) arXiv
  9. Zhao, Xuezhuang; Cui, Jianxia; Li, Zucheng; Xu, Xiufang; Shang, Zhenfeng; Li, Yun; Wang, Guichang; Li, Ruifang: Symmetries of deoxyribonucleic acid (DNA) and related molecules (2017)
  10. Amovilli, Claudio; March, N.H.: Approaching the $s$-wave model ground state energy of He-like atomic ions: results from a model Hamiltonian (2016)
  11. Bastos, Cristiano C.; Pavão, Antonio C.; Leandro, Eduardo S.G.: On the quantum mechanics of a particle constrained to generalized cylinders with application to Möbius strips (2016)
  12. Bay, Xavier; Grammont, Laurence; Maatouk, Hassan: Generalization of the Kimeldorf-Wahba correspondence for constrained interpolation (2016)
  13. Cao, Shi-Fa; Yin, Jun; Huang, Yin-Sheng: Theoretical investigation of the substitution effects on carrier transport properties of tetrathia[22]annulene-[2,1,2,1] derivatives (2016)
  14. Eyi-Minko, Frédéric; Dombry, Clément: Extremes of independent stochastic processes: a point process approach (2016)
  15. Graen, Timo; Grubmüller, Helmut: NuSol -- numerical solver for the 3D stationary nuclear Schrödinger equation (2016)
  16. Grishanov, E.N.; Popov, I.Y.: Computer simulation of periodic nanostructures (2016)
  17. Michaud-Rioux, Vincent; Zhang, Lei; Guo, Hong: RESCU: a real space electronic structure method (2016)
  18. Vetchinkin, A.S.; Kovalev, V.L.; Krupnov, A.A.: Catalytic properties of a copper transducer for determining flow parameters in a high-frequency induction plasmatron (2016)
  19. Zhu, Xun; Aoki, Yuriko: Development of molecular fragment interaction method for designing organic ferromagnets (2016)
  20. Zielesny, Achim: From curve fitting to machine learning. An illustrative guide to scientific data analysis and computational intelligence (2016)

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