Polarizable continuum model - PDFSEARCH.IO - Document Search Engine

Polarizable continuum model
Results: 5

#	Item
1	Published on WebThermochemistry of Arylselanyl Radicals and the Pertinent Ions in Acetonitrile Allan Hjarbæk Holm,† Laura Yusta,† Peter Carlqvist,‡ Tore Brinck,,‡ and Kim Daasbjerg,† Add to Reading List Source URL: www.chm.bris.ac.uk Language: English - Date: 2009-10-27 12:20:09 Physical chemistry Polarizable continuum model Solvation Solvent effects Water Reference electrode Equilibrium chemistry Chemistry Computational chemistry Solutions
2	Professor Vincenzo Barone Laboratorio Virtuale IDEA - Scuola Normale Superiore di Pisa The following list of selected publications includes all scientific contributions since 1995 that have received more than 100 citatio Add to Reading List Source URL: hubmiur.pubblica.istruzione.it Language: English - Date: 2014-09-11 08:01:59 Computational chemistry Polarizable continuum model Chemical physics Density functional theory Quantum chemistry Chemical bond MOLCAS Force field Chemistry Science Theoretical chemistry
3	Gaussian 09 Revision A.02 Release Notes 13 May 2013 Usage Notes ♦ If CIS frequencies are to be used with the Herzberg-Teller or Franck-Condon-Herzberg-Teller analysis, the CIS frequencies mustbe done numerically (Freq= Add to Reading List Source URL: www.gaussian.com Language: English - Date: 2014-02-27 14:34:47 Theoretical chemistry Computational physics Quantum chemistry Gaussian Hartree–Fock method PM3 ACES Polarizable continuum model Density functional theory Chemistry Science Computational chemistry
4	Predicting hydration free energies with a hybrid QM/MM approach 5 Supplemental material Table 5 Trivial or chemical names for each molecule Molecule Add to Reading List Source URL: link.springer.com Language: English Theoretical chemistry Solutions Basis set Quantum chemistry Polarizable continuum model Implicit solvation Solvation Kilocalorie per mole Molecular dynamics Chemistry Computational chemistry Molecular modelling
5	Z:aginationeyPlicationfiles.dvi Add to Reading List Source URL: media.wiley.com Language: English - Date: 2007-11-12 09:49:10 Solutions Physical chemistry Theoretical chemistry Implicit solvation Polarizable continuum model Solvation Solvent effects Force field Molecular dynamics Chemistry Computational chemistry Molecular modelling