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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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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
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… 
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
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… 
2006
2006
QUANTUM MECHANICAL DESIGN OF TWO LOGICAL FUNCTIONS MOLECULAR DEVICE
Quantum mechanical investigations of isolate molecules and a bridge fragment are performed. Based on the investigation results… 
Highly Cited
2005
Highly Cited
2005
PC GAMESSのための新しい計算化学統合環境 Facio の開発
Windows環境におけるフリーの分子軌道計算プログラムであるPC GAMESSのための新しい計算化学統合環境の開発を行った。分子モデリングの機能については、市販のモデリングソフトに匹敵するものを実装した。モデルの描画にはOpenGL… 
2004
2004
ATP Hydrolysis in the b TP and b DP Catalytic Sites of F 1 -ATPase
The enzyme F1-adenosine triphosphatase (ATPase) is a molecular motor that converts the chemical energy stored in the molecule… 
2004
2004
Calculation of Electric Quadrupole Moments for HF , HCl and BH Molecules
An expression for electric quadrupole moments of diatomic molecules have been derived and applied to HF, HCl and BH for… 
2003
2003
A Framework for Integrating Heterogeneous , Small-Scale Devices into Computational Grids and Clusters
viii Acknowledgments I would like to thank my advisor, Rajive Bagrodia, whose tutelage I had the privilege of being under, for… 
Review
1995
Review
1995
Parallel Computing in Computational Chemistry
This book is based on “Parallel Computing in Computational Chemistry” symposium held at the 207th ACS National Meeting in San… 
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