「initio」の共起表現一覧(1語右で並び替え)

initio

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該当件数:32件

  • Ab initio and semi-empirical calculations yield orbital
  • and French Language A2, Spanish and German ab initio and English B.
  • Following fifteen weeks of ground study, ab initio and, later, advanced flying training commenced
  • The ab initio binding energy between the two water molecules
  • In 2011, an ab initio calculation of the low-lying states of carbon-
  • Ab initio calculations have been cited to propose that c
  • han the O-acid isomer based on Hartree-Fock/ab initio calculations with a 6-311 G** basis set and MP
  • cepts in Electronic Structure Theory) is an ab initio computational chemistry package for performing
  • vatives Package, is a suite of programs for ab initio computational chemistry calculations.
  • Its purpose is to calculate, ab initio, dielectric and optical properties, like absor
  • e generalized valence bond (GVB) method for ab initio electronic structure calculations and the Reax
  • SL), French (B), Spanish (B), German (A1 or ab initio), Japanese (B or ab initio), Mathematics (SL),
  • nd modeling techniques like Monte Carlo and ab initio methods.
  • SAM1, or "Semiempirical ab initio Model 1", is a semiempirical quantum chemistry
  • rming electronic structure calculations and ab initio molecular dynamics simulations of molecules an
  • The ab initio multiple spawning, or AIMS, method is a time-d
  • He developed a method known as ab initio multiple spawning, or AIMS, which predicts the
  • Cardinalium ab initio nascentis ecclesiae usque ad Clementem IX.
  • Ab initio- or de novo- protein modelling methods seek to
  • In contrast, ab initio packages, such as GAUSSIAN, gained popularity
  • in homology modeling, fold recognition, and ab initio prediction of protein tertiary structures base
  • The Rosetta ab initio protein structure prediction software has been
  • Dalton (named after John Dalton) is an ab initio quantum chemistry software program.
  • Fock is the central starting point for most ab initio quantum chemistry methods.
  • known as VASP, is a package for performing ab initio quantum mechanical molecular dynamics (MD) usi
  • , which is one of several post-Hartree-Fock ab initio quantum chemistry methods in the field of comp
  • sophisticated computational methods, called ab initio quantum chemistry methods, that use basis sets
  • Semi-empirical, ab initio quantum chemistry methods, or density function
  • (by predicted or experimental methods) make ab initio structure prediction an active research field.
  • xchange and correlation from other sources (ab initio, such as LDA, or empirical).
  • III's marriage with Catharine to be illegal ab initio, through the pope's inability to grant a dispe
  • different levels of precision ranging from ab initio tight binding up to full DFT with plane wave a