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Results:
1-22
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Results: 22
Authors:
ALIAGAS I
GRONERT S
Citation: I. Aliagas et S. Gronert, ACCURACY OF G2 CALCULATIONS FOR THE REACTIONS OF HYDROXYL RADICALS WITH ALKANES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(15), 1998, pp. 2609-2612
Authors:
GRONERT S
Citation: S. Gronert, ESTIMATION OF EFFECTIVE ION TEMPERATURES IN A QUADRUPOLE ION-TRAP, Journal of the American Society for Mass Spectrometry, 9(8), 1998, pp. 845-848
Authors:
GRONERT S
AZIZIAN K
FRIEDMAN MA
Citation: S. Gronert et al., CYCLIZATIONS OF 3-CHLOROCARBANIONS TO CYCLOPROPANES - STRAIN-FREE TRANSITION-STATES FOR FORMING HIGHLY STRAINED RINGS, Journal of the American Chemical Society, 120(13), 1998, pp. 3220-3226
Authors:
MERRILL GN
GRONERT S
KASS SR
Citation: Gn. Merrill et al., SYSTEMATIC STUDY OF THE POTENTIAL-ENERGY SURFACE FOR THE BASE-INDUCEDELIMINATION-REACTION OF FLUORIDE-ION WITH ETHYL FLUORIDE USING DENSITY-FUNCTIONAL THEORY, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(2), 1997, pp. 208-218
Authors:
SHIRAZIAN S
GRONERT S
Citation: S. Shirazian et S. Gronert, THE GAS-PHASE CONFORMATIONS OF VALINE - AN AB-INITIO STUDY, Journal of molecular structure. Theochem, 397, 1997, pp. 107-112
Authors:
GRONERT S
KASS SR
Citation: S. Gronert et Sr. Kass, THEORETICAL-STUDIES OF ELIMINATIONS .6. THE REGIOCHEMISTRY AND STEREOCHEMISTRY OF THE GAS-PHASE REACTIONS OF 3-HALOCYCLOHEXENES WITH FLUORIDE - AN AB-INITIO STUDY, Journal of organic chemistry, 62(23), 1997, pp. 7991-8000
Authors:
BERNASCONI CF
WENZEL PJ
KEEFFE JR
GRONERT S
Citation: Cf. Bernasconi et al., INTRINSIC BARRIERS AND TRANSITION-STATE STRUCTURES IN THE GAS-PHASE CARBON-TO-CARBON IDENTITY PROTON TRANSFERS FROM NITROMETHANE TO NITROMETHIDE ANION AND FROM PROTONATED NITROMETHANE TO ACI-NITROMETHANE - AN AB-INITIO STUDY, Journal of the American Chemical Society, 119(17), 1997, pp. 4008-4020
Authors:
GRONERT S
FREED P
Citation: S. Gronert et P. Freed, THEORETICAL-STUDIES OF ELIMINATIONS .5. INTERMOLECULAR VS INTRAMOLECULAR ELIMINATIONS - AN AB-INITIO STUDY OF THE GAS-PHASE REACTION OF NH2- WITH CH3CN2SCH3, Journal of organic chemistry, 61(26), 1996, pp. 9430-9433
Authors:
GRONERT S
Citation: S. Gronert, THE NEED FOR ADDITIONAL DIFFUSE FUNCTIONS IN CALCULATIONS ON SMALL ANIONS - THE G2(DD) APPROACH, Chemical physics letters, 252(5-6), 1996, pp. 415-418
Authors:
GRONERT S
Citation: S. Gronert, AN AB-INITIO STUDY OF PROTON TRANSFERS FROM GAS-PHASE DICATIONS - COMPLICATIONS IN KINETIC METHODS FOR DETERMINING ACIDITIES, Journal of the American Chemical Society, 118(14), 1996, pp. 3525-3526
Authors:
OHAIR RAJ
GRONERT S
DEPUY CH
Citation: Raj. Ohair et al., NEW INSIGHTS INTO THE GAS-PHASE ANION CHEMISTRY OF NITROUS-OXIDE, European mass spectrometry, 1(5), 1995, pp. 429-436
Authors:
OHAIR RAJ
FREITAS MA
GRONERT S
SCHMIDT JAR
WILLIAMS TD
Citation: Raj. Ohair et al., CONCERNING THE REGIOSELECTIVITY OF GAS-PHASE REACTIONS OF GLYCINE WITH ELECTROPHILES - THE CASES OF THE DIMETHYLCHLORINIUM ION AND THE METHOXYMETHYL CATION, Journal of organic chemistry, 60(7), 1995, pp. 1990-1998
Authors:
GRONERT S
MERRILL GN
KASS SR
Citation: S. Gronert et al., FLUORIDE-INDUCED ELIMINATION OF ETHYL FLUORIDE - THE IMPORTANCE OF HIGH-LEVEL OPTIMIZATIONS IN AB-INITIO AND DFT STUDIES, Journal of organic chemistry, 60(3), 1995, pp. 488-489
Authors:
GRONERT S
LEE JM
Citation: S. Gronert et Jm. Lee, STRAIN-FREE TRANSITION-STATES IN THE FORMATION OF STRAINED RINGS - ANAB-INITIO STUDY OF THIIRANE, THIETAN, AND TETRAHYDROTHIOPHENE, Journal of organic chemistry, 60(21), 1995, pp. 6731-6736
Authors:
GRONERT S
LEE JM
Citation: S. Gronert et Jm. Lee, GAS-PHASE REACTIONS OF METHYLOXIRANE WITH HO- AND METHYLTHIIRANE WITHHO- AND HS- - AN AB-INITIO STUDY OF ADDITION AND ELIMINATION, Journal of organic chemistry, 60(14), 1995, pp. 4488-4497
Authors:
SHELDON JC
OHAIR RAJ
DOWNARD KM
GRONERT S
KREMPP M
DEPUY CH
BOWIE JH
Citation: Jc. Sheldon et al., A POTENTIAL SURFACE MAP OF THE H- N2O SYSTEM - THE GAS-PHASE ION CHEMISTRY OF HN2O-/, Australian Journal of Chemistry, 48(2), 1995, pp. 155-165
Authors:
GRONERT S
OHAIR RAJ
Citation: S. Gronert et Raj. Ohair, AB-INITIO STUDIES OF AMINO-ACID CONFORMATIONS .1. THE CONFORMERS OF ALANINE, SERINE, AND CYSTEINE, Journal of the American Chemical Society, 117(7), 1995, pp. 2071-2081
Authors:
OHAIR RAJ
GRONERT S
WILLIAMS TD
Citation: Raj. Ohair et al., HOW DOES ISOTOPIC-SUBSTITUTION AFFECT THE GAS-PHASE PROTON AFFINITY OF GLYCINE - A COMBINED EXPERIMENTAL AND AB-INITIO STUDY, Organic mass spectrometry, 29(3), 1994, pp. 151-152
Authors:
GRONERT S
Citation: S. Gronert, THEORETICAL-STUDIES OF ELIMINATION-REACTIONS .4. GAS-PHASE REACTIONS OF F- WITH CYCLOPENTYL AND CYCLOHEXYL CHLORIDE - STEREOCHEMICAL PREFERENCES OF E2 ELIMINATIONS, Journal of organic chemistry, 59(23), 1994, pp. 7046-7050
Authors:
RABASCO JJ
GRONERT S
KASS SR
Citation: Jj. Rabasco et al., STEREOSELECTIVITY IN 1,2-ELIMINATION REACTIONS - THE GAS-PHASE REACTIVITY OF DEUTERIUM-LABELED 1-METHOXY-1-TERT-BUTYL-4,4-DIMETHYL-2-CYCLOHEXENE AND 1-METHOXY-3-TERT-BUTYL-6,6-DIMETHYL-3-CYCLOHEXENE, Journal of the American Chemical Society, 116(7), 1994, pp. 3133-3134
Authors:
GRONERT S
Citation: S. Gronert, 2 WAYS TO TRANSFER A PROTON - AN AB-INITIO STUDY OF THE IDENTITY REACTION OF SIH3-+SIH4 AND COMPARISONS TO THE REACTIONS OF ALH3 AND PH3, Organometallics, 12(10), 1993, pp. 3805-3807
Authors:
GRONERT S
Citation: S. Gronert, THEORETICAL-STUDIES OF PROTON TRANSFERS .1. THE POTENTIAL-ENERGY SURFACES OF THE IDENTITY REACTIONS OF THE 1ST-ROW AND 2ND-ROW NONMETAL HYDRIDES WITH THEIR CONJUGATE BASES, Journal of the American Chemical Society, 115(22), 1993, pp. 10258-10266
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