ACID CATALYZED HYDROLYSIS OF ACETALS AND ORTHOESTERS FACILITATED BY STEREOELECTRONIC EFFECTS. AN AB INITIO STUDY.WIPFF G.1978; TETRAHEDRON LETTERS; GBR; DA. 1978; NO 35; PP. 3269-3270; BIBL. 6 REF.Article

STEREOLECTRONIC CONTROL IN ACID AND BASE CATALYSIS OF AMIDE HYDROLYSIS. A THEORETICAL STUDYLEHN JM; WIPFF G.1980; J. AMER. CHEM. SOC.; USA; DA. 1980; VOL. 102; NO 4; PP. 1347-1354; BIBL. 43 REF.Article

STEREOELECTRONIC PROPERTIES AND REACTIVITY OF THE TETRAHEDRAL INTERMEDIATE IN AMIDE HYDROLYSIS. NONEMPIRICAL STUDY OF AMINODIHYDROXYMETHANE AND RELATION TO ENZYME CATALYSIS.LEHN JM; WIPFF G.1974; J. AMER. CHEM. SOC.; U.S.A.; DA. 1974; VOL. 96; NO 12; PP. 4048-4050; BIBL. 14 REF.Article

LONG RANGE STEREOELECTRONIC EFFECTS AND THE W ARRANGEMENT. AN AB INITIO STUDY OF BETA -HALOANIONSLEHN JM; WIPFF G.1980; TETRAHEDRON LETTERS; GBR; DA. 1980; VOL. 21; NO 2; PP. 159-162; BIBL. 12 REF.Article

THE ELECTRONIC STRUCTURE OF BICYCLO (2.1.1.) HEXANELEHN JM; WIPFF G.1973; THEOR. CHIM. ACTA; ALLEM.; DA. 1973; VOL. 28; NO 3; PP. 223-233; ABS. ALLEM. FR.; BIBL. 32 REF.Serial Issue

METAL HYDRIDE REDUCTIONS OF UNSYMMETRICAL CYCLIC ANHYDRIDES. THE IMPORTANCE OF THE ANTIPERIPLANAR EFFECT ON THE REGIOSELECTIVITY OF THESE REACTIONSKAYSER MM; WIPFF G.1982; CAN. J. CHEM.; ISSN 0008-4042; CAN; DA. 1982; VOL. 60; NO 10; PP. 1192-1198; ABS. FRE; BIBL. 23 REF.Article

NONPLANARITY OF PI SYSTEMS. AN AB INITIO STUDY OF NORBORNENE AND NORBORNADIENEWIPFF G; MOROKUMA K.1980; TETRAHEDRON LETT.; ISSN 0040-4039; GBR; DA. 1980; VOL. 21; NO 46; PP. 4445-4448; BIBL. 17 REF.Article

THEORETICAL EVIDENCE FOR INTRAMOLECULAR HYDROGEN BONDING IN 7-NORBORNENOLMOROKUMA K; WIPFF G.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 74; NO 3; PP. 400-403; BIBL. 18 REF.Article

STEREOELECTRONIC PROPERTIES, STEREOSPECIFICITY, AND STABILIZATION OF ALPHA -OXA AND ALPHA -THIA CARBANIONS.LEHN JM; WIPFF G.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 24; PP. 7498-7505; BIBL. 53 REF.Article

STEREOELECTRONIC EFFECTS IN PHOSPHORIC ACID AND PHOSPHATE ESTERS.LEHN JM; WIPFF G.1975; J. CHEM. SOC., CHEM. COMMUNIC.; G.B.; DA. 1975; NO 19; PP. 800-802; BIBL. 6 REF.Article

STEREOELECTRONIC PROPERTIES OF TETRAHEDRAL SPECIES DERIVED FROM CARBONYL GROUPS. AB INITIO STUDY OF THE HYDROXYMETHANES.LEHN JM; WIPFF G; BUERGI HB et al.1974; HELV. CHIM. ACTA; SUISSE; DA. 1974; VOL. 57; NO 2; PP. 493-496; BIBL. 12 REF.Article

PROTONATED CARBONYL AND ALPHA -HALO CARBONYL COMPOUNDS. INTRAMOLECULAR HYDROGEN BONDING AND THE STEREOISOMERISATION PROCESS. AN AB INITIO STUDY.JOST R; SOMMER J; WIPFF G et al.1978; NOUV. J. CHIM.; FR.; DA. 1978; VOL. 2; NO 1; PP. 63-68; BIBL. 38 REF.Article

A MOLECULAR MECHANICS STUDY OF 18-CROWN-6 AND ITS ALKALI COMPLEXES: AN ANALYSIS OF STRUCTURAL FLEXIBILITY, LIGAND SPECIFICITY, AND THE MACROCYCLIC EFFECTWIPFF G; WEINER P; KOLLMAN P et al.1982; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1982; VOL. 104; NO 12; PP. 3249-3258; BIBL. 55 REF.Article

STEREOELECTRONIC PROPERTIES, STEREOSPECIFICITY AND STABILIZATION OF ALPHA -SELENO CARBANIONS. AN AB INITIO STUDY.LEHN JM; WIPFF G; DEMUYNCK J et al.1977; HELV. CHIM. ACTA; SUISSE; DA. 1977; VOL. 60; NO 4; PP. 1239-1246; BIBL. 24 REF.Article

Conformation and dynamics of 18-crown-6, cryptand 222, and their cation complexes in acetonitrile studied by molecular dynamics simulationsTROXLER, L; WIPFF, G.Journal of the American Chemical Society. 1994, Vol 116, Num 4, pp 1468-1480, issn 0002-7863Article

Dramatic solvent effect on the ligand wrapping around a complexed cation : a molecular dynamics study of p-tert-butylcalix[4]arene tetramide and its complexes with alkali cations and Eu³⁺ in acetonitrileVARNEK, A; WIPFF, G.Journal of physical chemistry (1952). 1993, Vol 97, Num 41, pp 10840-10848, issn 0022-3654Article

Molecular mechanical calculations on a macrocyclic receptor: the 222 cryptand and its alkali complexesWIPFF, G; KOLLMAN, P.Nouveau journal de chimie (1977). 1985, Vol 9, Num 7, pp 457-465, issn 0398-9836Article

MOLECULAR MECHANICS STUDIES OF ENZYME-SUBSTRATE INTERACTIONS: THE INTERACTION OF L- AND D-N-ACETYLTRYPTOPHANAMIDE WITH ALPHA -CHYMOTRYPSINWIPFF G; DEARING A; WEINER PK et al.1983; JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; ISSN 0002-7863; USA; DA. 1983; VOL. 105; NO 4; PP. 997-1005; BIBL. 53 REF.Article

Liquid―Liquid Extraction of Uranyl by an Amide Ligand: Interfacial Features Studied by MD and PMF SimulationsBENAY, G; WIPFF, G.The Journal of physical chemistry. B. 2013, Vol 117, Num 24, pp 7399-7415, issn 1520-6106, 17 p.Article

Selective complexation of UO₂²⁺ by the calix [6] arene^6- anion: structure and hydration studied by molecular dynamics simulationsGUILBAUD, P; WIPFF, G.Journal of inclusion phenomena and molecular recognition in chemistry. 1993, Vol 16, Num 2, pp 169-188, issn 0923-0750Article

Oil-Soluble and Water-Soluble BTPhens and Their Europium Complexes in Octanol/Water Solutions: Interface Crossing Studied by MD and PMF SimulationsBENAY, G; WIPFF, G.The Journal of physical chemistry. B. 2013, Vol 117, Num 4, pp 1110-1122, issn 1520-6106, 13 p.Article

Solvation of fluoro and mixed fluoro/chloro complexes of Eu^III in the [BMI][PF₆] room temperature ionic liquid. A theoretical studyCHAUMONT, A; WIPFF, G.PCCP. Physical chemistry chemical physics (Print). 2005, Vol 7, Num 9, pp 1926-1932, issn 1463-9076, 7 p.Article

Free energy calculations involving NH₄⁺ in waterBOUDON, S; WIPFF, G.Journal of computational chemistry. 1991, Vol 12, Num 1, pp 42-51, issn 0192-8651, 10 p.Article

Molecular dynamics simulations on the protonated 222. H⁺ and 222.2H⁺ cryptands in water : endo versus exo conformationsAUFFINGER, P; WIPFF, G.Journal of inclusion phenomena. 1991, Vol 11, Num 1, pp 71-88, issn 0167-7861Article

High temperature annealed molecular dynamics simulations as a tool for conformational sampling. Application to the bicyclic 222 cryptandAUFFINGER, P; WIPFF, G.Journal of computational chemistry. 1990, Vol 11, Num 1, pp 19-31, issn 0192-8651Article