Ab Initio Calculations on Uracil−Water
- 1 March 1999
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 103 (11) , 1611-1618
- https://doi.org/10.1021/jp983337k
Abstract
No abstract availableKeywords
This publication has 44 references indexed in Scilit:
- A density functional water dimer potential surfaceMolecular Physics, 1997
- Calculations and Characterization of the Electronic Spectra of DNA Bases Based on ab Initio MP2 Geometries of Different Tautomeric FormsThe Journal of Physical Chemistry A, 1997
- Hydrogen bonding of carbonyl, ether, and ester oxygen atoms with alkanol hydroxyl groupsJournal of Computational Chemistry, 1997
- Neutron Inelastic Scattering, Optical Spectroscopies and Scaled Quantum Mechanical Force Fields for Analyzing the Vibrational Dynamics of Pyrimidine Nucleic Acid Bases. 1. UracilThe Journal of Physical Chemistry, 1996
- Electron-Correlated Calculations of Electric Properties of Nucleic Acid BasesThe Journal of Physical Chemistry, 1996
- A method to calculate vibrational frequency shifts in heteroclusters: application to N2+–HenJournal of the Chemical Society, Faraday Transactions, 1996
- Benchmark calculations with correlated molecular wave functions. VII. Binding energy and structure of the HF dimerThe Journal of Chemical Physics, 1995
- SCF, MP2, and CEPA‐1 calculations on the OH ‥ O hydrogen bonded complexes (H2O)2 and (H2O‐H2CO)Journal of Computational Chemistry, 1990
- Interactions and hydration of nucleic acid bases in a vacuum. Experimental studyChemical Reviews, 1987
- Electrostatic predictions of shapes and properties of Van der Waals moleculesInternational Reviews in Physical Chemistry, 1986