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Dalton (program)
Manual (PDF)
Electronic Supporting Information a New Class of Soluble and Stable Transition-Metal-Substituted Polyoxoniobates: [Cr2(OH)4Nb10o
Computer-Assisted Catalyst Development Via Automated Modelling of Conformationally Complex Molecules
Dalton2018.0 – Lsdalton Program Manual
Quantum Chemistry on a Grid
Computational Studies of the Unusual Water Adduct [Cp2time (OH2)]: the Roles of the Solvent and the Counterion
1 Installation Guide for Columbus Version 7.1 with Openmolcas Support (Colmol-2.1.0)
A Summary of ERCAP Survey of the Users of Top Chemistry Codes
Trends in Atomistic Simulation Software Usage [1.3]
Lawrence Berkeley National Laboratory Recent Work
1 Advances in Electronic Structure Theory: Gamess a Decade Later Mark S. Gordon and Michael W. Schmidt Department of Chemistry A
Adsorption of Imidazole on Au(111) Surface: Dispersion Corrected Density Functional Study
Event Summary
DALTON2011 Program Manual
Modern Quantum Chemistry with [Open]Molcas
Modern Quantum Chemistry with [Open]Molcas
Petascaling and Performance Analysis of DALTON on Different Platforms
Jun Zhang, Vassiliki-Alexandra Glezakou, Manh-Thuong Nguyen, Roger Rousseau
Top View
Dalton Discussion 11: the Renaissance of Main Group Chemistry
Learning Avogadro - the Molecular Editor
Elda Rossi CINECA – Bologna (Italy) the Problem
Calculation of Deuterium Nuclear Quadrupole Coupling Constants GAMESS, Dalton, Gaussian
Finite Temperature Free Energy Calculations in Nwchem: Metadynamics and Umbrella Sampling-WHAM
DALTON Release 2 Program Manual
Electronic Structure Calculations and Properties of Alkaline-Earth Molecular Ions Sandipan Banerjee University of Connecticut - Storrs,
[email protected]
Metadynamics with Discriminants: a Tool for Understanding Chemistry
Dalton2020.0 – Dalton Program Manual
From Nwchem to Nwchemex: Evolving with the Computational
A BSSE-Corrected CASSCF/NEVPT2 Procedure. an Application to Weakly Bonded OH..Pi Heterodimer Complexes. Fanis G
A Tutorial for Columbus Usage of Symmetry and Parallel Calculations
Advances in Molecular Quantum Chemistry Contained in the Q-Chem 4 Program Package
Introduction and Structure Input
Preparation of Pyranylidene Complexes of Ruthenium
TDDFT As a Tool in Chemistry II
Implementation of the Incremental Scheme for Highly Efficient Correlation Methods
Specdis Manual, Version 1.70.1