Search Result "MCSCF"


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

Mini-Review Article

Ab initio Valence Bond Theory with Density Functional

Journal: Current Chinese Science
Volume: 3 Issue: 2 Year: 2023 Page: 141-153
Author(s):

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

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

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

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

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

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

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