Search Result "Mcscf calculation"
Conformation and Dynamics of Normal and Damaged DNA
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 4 Issue: 8 Year: 2001 Page: 675-706
Author(s): Edward L. Rachofsky, J.B. Alexander Ross, Roman Osman
Translational Nascent Kinetic Energy of the CH2Cl2 Molecule After Photoexcitation Around Cl 2p Edge and its Implications to the Physics of Atmosphere
Ebook: Recent Advances in Anesthesiology
Volume: 1 Year: 2018
Author(s): K. F. Alcantara,A. B. Rocha,A.H.A. Gomes,W. Wolff,L. Sigaud,A.C.F. Santos
Doi: 10.2174/97816810861321180101
Structure Simulations of Solutions with Small Organic Solutes at Ambient Temperature and pH =7
Journal: Current Physical Chemistry
Volume: 4 Issue: 4 Year: 2014 Page: 330-392
Author(s): Peter I. Nagy
Ab initio Valence Bond Theory with Density Functional
Journal: Current Chinese Science
Volume: 3 Issue: 2 Year: 2023 Page: 141-153
Author(s):
Mechanistic Aspects of the Ketene-Imine Cycloaddition Reactions
Journal: Mini-Reviews in Organic Chemistry
Volume: 3 Issue: 3 Year: 2006 Page: 185-194
Author(s): Alessandro Venturini, Javier Gonzalez
Computational Studies of Photodissociation, Photoinduced Isomerization, and Stereochemistry of Coordination Complexes
Journal: Current Inorganic Chemistry (Discontinued)
Volume: 3 Issue: 3 Year: 2013 Page: 196-212
Author(s): Justyna M. Zurek,Martin J. Paterson
Theoretical Insights into Material Properties of Schiff Bases and Related Azo Compounds
Journal: Current Organic Chemistry
Volume: 13 Issue: 2 Year: 2009 Page: 149-171
Author(s): Iran Sheikhshoaie, Walter M. F. Fabian
Quantum Chemical Studies of the Ground States of the Metal Centres in Haem-Copper Oxidases
Journal: Current Inorganic Chemistry (Discontinued)
Volume: 2 Issue: 3 Year: 2012 Page: 316-324
Author(s): Mikael P. Johansson
Localization and Localizability in Quantum Organic Chemistry: Localized Orbitals and Localization Functions
Journal: Current Organic Chemistry
Volume: 15 Issue: 2 Year: 2011 Page: 3555-3565
Author(s): Bernard Silvi, Peter Reinhardt