PQS is a general purpose quantum chemistry program. Its roots go back to the first ab initio gradient program developed in Professor Peter Pulay's group...
13 KB (1,465 words) - 20:46, 22 July 2024
packages: List of software for Monte Carlo molecular modeling Comparison of software for molecular mechanics modeling Molecular design software Molecule editor...
27 KB (510 words) - 13:09, 15 November 2024
MOLPRO (category Computational chemistry software)
error. Quantemol Electron Collisions CP2K GAMESS Gaussian (software) MOLCAS MPQC NWChem PQS Psi4 Q-Chem TeraChem TURBOMOLE Grace Global Arrays Quantum...
10 KB (932 words) - 05:45, 15 August 2023
RDKit (category Computational chemistry software)
GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA PLATO PQS Q-Chem Quantemol Scigress Spartan TeraChem TURBOMOLE VASP WIEN2k XMVB...
2 KB (71 words) - 13:59, 20 March 2024
to new technological possibilities. The Intel Preferred Quality Supplier (PQS) Award for 2020 was awarded to ASML. ASML has attained a level of performance...
42 KB (3,464 words) - 14:10, 14 November 2024
Glide (docking) (category Molecular modelling software)
Glide is a molecular modeling software for docking of small molecules into proteins and other biopolymers. It was developed by Schrödinger, Inc. Kirkpatrick...
2 KB (167 words) - 08:31, 12 August 2023
Arthur Weininger (Pomona; Daylight CIS) and Jeremy Scofield (Cedar River Software, Renton, WA) for assistance in programming the system." The Environmental...
32 KB (3,645 words) - 05:44, 29 October 2024
Planar 80mm ƒ/2.8 HFT PQS Planar 110mm ƒ/2 HFT PQ Sonnar 150mm ƒ/4 HFT PQS Sonnar 250mm ƒ/5.6 HFT PQS Makro-Planar 120mm ƒ/4 HFT PQS Rolleiflex TLR Tessar...
66 KB (7,589 words) - 15:21, 18 September 2024
PQs. PQ is a rating system based upon a weighted average constructed from a comprehensive list of play value attributes. Playthings with higher PQs are...
25 KB (3,080 words) - 01:20, 3 September 2024
using the Dynamic Chemistry app. CP2K GAMESS Gaussian MOLCAS MPQC NWChem PQS Psi3 Q-Chem TURBOMOLE Grace Global Arrays Quantum chemistry computer programs...
22 KB (2,341 words) - 00:14, 16 May 2024
display, or in more sophisticated sonars this function may be carried out by software. Further processes may be carried out to classify the target and localise...
101 KB (12,471 words) - 18:19, 23 October 2024
airworthiness certificates as it was not possible to certify the avionics software, and would not enter service until 2017. The procurement was described...
42 KB (4,021 words) - 15:22, 2 November 2024
professional engineer (P.Eng) in Alberta and a professional quantity surveyor (PQS) in Canada. He is also a Professional/Chartered Member of the Royal Institution...
31 KB (3,233 words) - 17:38, 9 November 2024