CNDO/INDO
The program CNDO/INDO is a general-purpose combination of the CNDO/S, CNDO/2, INDO, and INDO/S programs. It performs RHF (open and closed shell) calculations, multi-reference CI, but not geometry...
View ArticleUV/Vis Spectra simulator
UVSpec uses the SCF-MO package ORCA to calculate molecular electronic structures. Excited states are calculated via CI-singles (CIS) with the semiempirical Hamiltonian ZINDO. The MO and Absorption...
View ArticleThinking Small
This work is supported by the National Science Foundation through grants to CAB and also through the NNIN
View ArticlenanoHUB.org: Future Cyberinfrastructure Serving a Community of 60,000 Today
nanoHUB.org provides users with "fingertip access" to over 70 simulation tools for research and education. Users not only launch jobs that are executed on the state-of-the-art computational facilities...
View ArticleTheoretical Electron Density Visualizer
TEDVis is intended to assist in the interpretation of molecular wave functions by calculating derived magnitudes and fields associated to the electron density (ED). In the current version, TEDVis is...
View ArticleToday's Scientific Scenario and Tomorrow's Challenges: The Case for India
Professor C.N.R. Rao is the National Research Professor and Linus Pauling Research Professor and Honorary President of Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, India. Also...
View ArticleThe United States and India: Two Giant Democracies
Prof. Rao, the chairman of the Science Advisory Council to India's prime minister is the keynote speaker at Purdue University's Discovery Lecture Series event on June 18, outlining how India is...
View ArticleNorthwestern University Initiative for Teaching Nanoscience
NUITNS reunites the electronic structure tools QC-Lab, INDO and UVSpect plus the visualization programs Molecular Structure Tracer (MolST) and Theoretical Electron Density Visualizer (TEDViz). Tanks to...
View ArticleDragonflyTV Nano – Using the Power of Television to Introduce Middle School...
DragonflyTV is a PBS science series for children, broadcast nationwide and on the internet (www.dragonflytv.org). DragonflyTV models authentic science inquiry through its unique approach: In each...
View ArticleBuilding Capacity for Nano Education and Outreach through Partnerships with...
The Nanoscale Informal Science Education Network seeks to foster local partnerships between research centers and informal science education institutions, in order to increase their capacity to work...
View ArticleNANOHOUR: University of Illinois Nanohour Seminar Series
Nanohour is a interdisciplinary seminar series aligned with the Molecular and Electronic Nanostructures research initiative at the Beckman Institute at the University of Illinois at Urbana Champaign....
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