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GAMESS (US)

Known as: GAMESS, GAMESS-US 
General Atomic and Molecular Electronic Structure System (GAMESS (US)) is computer software for computational chemistry program. The original code… 
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Related topics

Related topics

34 relations
Austin Model 1Computational chemistryConfiguration interactionCoupled cluster

Papers overview

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2017
2017
Satellite-Based Mapping and Monitoring of Heavy Snowfall in North Western Himalaya and its Hydrologic Consequences
CURRENT SCIENCE, VOL. 113, NO. 12, 25 DECEMBER 2017 2328 *For correspondence. (e-mail: bhaskarnikam@iirs.gov.in) excited states… 
2012
2012
Квантово-химический расчет молекулы 4-дифторметокси-2-этилсульфанил-1,3-дигидропиримидина методом ab initio
For the first time quantum chemical calculation of a molecule of 4-difluoromethoxy-2-ethylsulfanil-1,3-dihydropyrimidine is… 
2009
2009
Finding the Best HPCMP Architectures Using Benchmark Application Results for TI-09
Time-to-solution and scalability of an application can vary greatly from one computer architecture to another. It is important… 
2008
2008
Density Functional Study on the C-H Bond Cleavage of Aldimine by a Rhodium(I) Catalyst
We investigated the C-H bond activation mechanism of aldimine by the [RhCl] model catalyst using DFT B3LYP//SBKJC/6-31G*/6-31G on… 
2008
2008
OPTIMIZATION AND PARALLELIZATION OF GAMESS ON DoD HIGH PERFORMANCE COMPUTING MACHINES
M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S… 
2008
2008
Ein Analyseraster zur Bestimmung langfristiger Wechselkursrisiken von Unternehmen dargestellt am Beispiel der US-Dollar-Abwertung
The US-Dollar has depreciated noticeably since the beginning of the year 2006. This depreciation changes the competitiveness of… 
2006
2006
Molecular Modeling of the Thermophysical and Transport Properties of Ionic Liquids
by Cesar Cadena Ionic liquids (ILs) are an exciting class of compounds with unique properties that makes them attractive for… 
2005
2005
Design of New Materials Using Computational Chemistry and Materials Science (CHSSI)
Abstract : The objective of this work was to develop a broad array of methods for electronic structure theory, with special… 
Review
2003
Review
2003
Recent development of linear scaling quantum theories in GAMESS
Linear scaling quantum theories are reviewed especially focusing on the method adopted in GAMESS. The three key translation… 
2002
2002
Computer Prognosis and Targeted Synthesis of a New Betulin Derivative Possessing Antituberculous Properties
As is known, the content of betulin in the birch bark,from which this compound can be readily extracted with or-ganic solvents…