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The Chemistry of the Actinide and Transactinide Elements (3rd ed.). Dordrecht, The Netherlands: Springer Science+Business Media. ISBN 1-4020-3555-1. (for predictions) Cotton, Simon (2006). Lanthanide and Actinide Chemistry. John Wiley & Sons Ltd. Fricke, Burkhard (1975). "Superheavy elements: a prediction of their chemical and physical properties".
Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics, semi-empirical methods, ab initio models, [3] density functional models, [4] post-Hartree–Fock models, [5] thermochemical recipes including G3(MP2) [6] and T1.
Product key on a Proof of License Certificate of Authenticity for Windows Vista Home Premium. A product key, also known as a software key, serial key or activation key, is a specific software-based key for a computer program. It certifies that the copy of the program is original. Product keys consist of a series of numbers and/or letters.
Pages in category "Free chemistry software" The following 16 pages are in this category, out of 16 total. ... This page was last edited on 10 March 2018, ...
The Tinker package is based on several related codes: (a) the canonical Tinker, version 8, (b) the Tinker9 package as a direct extension of canonical Tinker to GPU systems, (c) the Tinker-HP package for massively parallel MPI applications on hybrid CPU and GPU-based systems, (d) Tinker-FFE for visualization of Tinker calculations via a Java-based graphical interface, and (e) the Tinker-OpenMM ...
Q-Chem software is maintained and distributed by Q-Chem, Inc., [6] located in Pleasanton, California, USA. It was founded in 1993 as a result of disagreements within the Gaussian company that led to the departure (and subsequent "banning") of John Pople and a number of his students and postdocs (see Gaussian License Controversy [7]).
The first of these quantities is used in atomic physics, the second in chemistry, but both refer to the same basic property of the element. To convert from "value of ionization energy" to the corresponding "value of molar ionization energy", the conversion is: 1 eV = 96.48534 kJ/mol 1 kJ/mol = 0.0103642688 eV [12]
ChemDraw is a molecule editor first developed in 1985 by Selena "Sally" Evans, her husband David A. Evans, and Stewart Rubenstein [1] [2] (later by the cheminformatics company CambridgeSoft).