Roger A. Klein

List of publications from the DBLP Bibliography Server - FAQ

Ask others: ACM DL/Guide - CiteSeer - CSB - Google - MSN - Yahoo

2003

2 EE Roger A. Klein: Hydrogen bonding in diols and binary diol-water systems investigated using DFT methods. II. Calculated infrared OH-stretch frequencies, force constants, and NMR chemical shifts correlate with hydrogen bond geometry and electron density topology. A reevaluation of geometrical criteria for hydrogen bonding. Journal of Computational Chemistry 24(9): 1120-1131 (2003)

2002

1 EE Roger A. Klein: Ab initio conformational studies on diols and binary diol-water systems using DFT methods. Intramolecular hydrogen bonding and 1: 1 complex formation with water. Journal of Computational Chemistry 23(6): 585-599 (2002)

2003
2	EE	Roger A. Klein: Hydrogen bonding in diols and binary diol-water systems investigated using DFT methods. II. Calculated infrared OH-stretch frequencies, force constants, and NMR chemical shifts correlate with hydrogen bond geometry and electron density topology. A reevaluation of geometrical criteria for hydrogen bonding. Journal of Computational Chemistry 24(9): 1120-1131 (2003)
2002
1	EE	Roger A. Klein: Ab initio conformational studies on diols and binary diol-water systems using DFT methods. Intramolecular hydrogen bonding and 1: 1 complex formation with water. Journal of Computational Chemistry 23(6): 585-599 (2002)