共 8 条
- [1] TAUTOMERISM OF 1,2,3-TRIAZOLE AND 1,2,4-TRIAZOLE IN THE GAS-PHASE AND IN AQUEOUS-SOLUTION - A COMBINED ABINITIO QUANTUM-MECHANICS AND FREE-ENERGY PERTURBATION STUDYJOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (14): : 5499 - 5501COX, JRWOODCOCK, SHILLIER, IHVINCENT, MA
- [2] APPLICATION OF THE QUANTUM-MECHANICS AND FREE-ENERGY PERTURBATION-METHODS TO STUDY MOLECULAR PROCESSESINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1987, : 65 - 74CIEPLAK, PSINGH, UCKOLLMAN, PA
- [3] A THEORETICAL-STUDY, USING ABINITIO METHODS, OF TAUTOMERISM IN 3-AMINO-1,2,4-TRIAZOLE IN THE GAS-PHASE AND IN AQUEOUS-SOLUTIONJOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1992, (10): : 1681 - 1684PARCHMENT, OGHILLIER, IHGREEN, DVSBURTON, NAMORLEY, JOSCHAEFER, HF
- [7] TAUTOMERIC EQUILIBRIA OF 3-HYDROXYPYRAZOLE IN THE GAS-PHASE AND IN SOLUTION - A THEORETICAL-STUDY COMBINING AB-INITIO QUANTUM-MECHANICS AND MONTE-CARLO SIMULATION METHODSJOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (44): : 11353 - 11361CAO, MTEPPEN, BJMILLER, DMPRANATA, JSCHAFER, L
- [8] AN APPROACH TO THE APPLICATION OF FREE-ENERGY PERTURBATION-METHODS USING MOLECULAR-DYNAMICS - APPLICATIONS TO THE TRANSFORMATIONS OF CH3OH-] CH3CH3, H3O+-] NH4+, GLYCINE-] ALANINE, AND ALANINE-] PHENYLALANINE IN AQUEOUS-SOLUTION AND TO H3O+(H2O)3-] NH4+(H2O)3 IN THE GAS-PHASEJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (06) : 1607 - 1614SINGH, UCBROWN, FKBASH, PAKOLLMAN, PA