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Results: 1-25 | 26-41
Results: 1-25/41
LOW-BARRIER HYDROGEN-BONDS - AB-INITIO AND DFT INVESTIGATION
Authors: KUMAR GA PAN YP SMALLWOOD CJ MCALLISTER MA
Citation: Ga. Kumar et al., LOW-BARRIER HYDROGEN-BONDS - AB-INITIO AND DFT INVESTIGATION, Journal of computational chemistry, 19(12), 1998, pp. 1345-1352
CHARACTERIZATION OF LOW-BARRIER HYDROGEN-BONDS - 2 - HF2- - A DENSITY-FUNCTIONAL AND AB-INITIO STUDY
Authors: MCALLISTER MA
Citation: Ma. Mcallister, CHARACTERIZATION OF LOW-BARRIER HYDROGEN-BONDS - 2 - HF2- - A DENSITY-FUNCTIONAL AND AB-INITIO STUDY, Journal of molecular structure. Theochem, 427, 1998, pp. 39-53
CHARACTERIZATION OF LOW-BARRIER HYDROGEN-BONDS 4 - BASIS-SET AND CORRELATION-EFFECTS - AN AB-INITIO AND DFT INVESTIGATION
Authors: PAN YP MCALLISTER MA
Citation: Yp. Pan et Ma. Mcallister, CHARACTERIZATION OF LOW-BARRIER HYDROGEN-BONDS 4 - BASIS-SET AND CORRELATION-EFFECTS - AN AB-INITIO AND DFT INVESTIGATION, Journal of molecular structure. Theochem, 427, 1998, pp. 221-227
CHARACTERIZATION OF INTERMEDIATES ON THE O-1(2)-ENERGY SURFACE - A HIGH-LEVEL AB-INITIO STUDY(R2S POTENTIAL)
Authors: SHANGGUAN C MCALLISTER MA
Citation: C. Shangguan et Ma. Mcallister, CHARACTERIZATION OF INTERMEDIATES ON THE O-1(2)-ENERGY SURFACE - A HIGH-LEVEL AB-INITIO STUDY(R2S POTENTIAL), Journal of molecular structure. Theochem, 422, 1998, pp. 123-132
A THEORETICAL INVESTIGATION OF PHOSPHONAMIDATES AND SULFONAMIDES AS PROTEASE TRANSITION-STATE ISOSTERES
Authors: RADKIEWICZ JL MCALLISTER MA GOLDSTEIN E HOUK KN
Citation: Jl. Radkiewicz et al., A THEORETICAL INVESTIGATION OF PHOSPHONAMIDATES AND SULFONAMIDES AS PROTEASE TRANSITION-STATE ISOSTERES, Journal of organic chemistry, 63(5), 1998, pp. 1419-1428
THEORETICAL INVESTIGATION OF THE RELATIONSHIP BETWEEN PROTON NMR CHEMICAL-SHIFT AND HYDROGEN-BOND STRENGTH
Authors: KUMAR GA MCALLISTER MA
Citation: Ga. Kumar et Ma. Mcallister, THEORETICAL INVESTIGATION OF THE RELATIONSHIP BETWEEN PROTON NMR CHEMICAL-SHIFT AND HYDROGEN-BOND STRENGTH, Journal of organic chemistry, 63(20), 1998, pp. 6968-6972
SHORT, STRONG HYDROGEN-BONDS IN THE GAS-PHASE AND IN SOLUTION - THEORETICAL EXPLORATION OF PKA MATCHING AND ENVIRONMENTAL-EFFECTS ON THE STRENGTHS OF HYDROGEN-BONDS AND THEIR POTENTIAL ROLES IN ENZYMATIC CATALYSIS
Authors: CHEN JG MCALLISTER MA LEE JK HOUK KN
Citation: Jg. Chen et al., SHORT, STRONG HYDROGEN-BONDS IN THE GAS-PHASE AND IN SOLUTION - THEORETICAL EXPLORATION OF PKA MATCHING AND ENVIRONMENTAL-EFFECTS ON THE STRENGTHS OF HYDROGEN-BONDS AND THEIR POTENTIAL ROLES IN ENZYMATIC CATALYSIS, Journal of organic chemistry, 63(14), 1998, pp. 4611-4619
GENERATION OF 1,2-BISKETENES FROM CYCLOBUTENE-1,2-DIONES BY FLASH-PHOTOLYSIS AND RING-CLOSURE KINETICS (VOL 119, PG 12125, 1997)
Authors: ALLEN AD COLOMVAKOS JD DIEDERICH F EGLE I HAO XK LI RH LUSZTYK J MA JH MCALLISTER MA RUBIN Y SUNG K TIDWELL TT WAGER BD
Citation: Ad. Allen et al., GENERATION OF 1,2-BISKETENES FROM CYCLOBUTENE-1,2-DIONES BY FLASH-PHOTOLYSIS AND RING-CLOSURE KINETICS (VOL 119, PG 12125, 1997), Journal of the American Chemical Society, 120(34), 1998, pp. 8901-8901
6-OXOCYCLOHEXA-2,4-DIENYLIDENEKETENE - A HIGHLY REACTIVE ALPHA-OXOKETENE
Authors: LIU RCY LUSZTYK J MCALLISTER MA TIDWELL TT WAGNER BD
Citation: Rcy. Liu et al., 6-OXOCYCLOHEXA-2,4-DIENYLIDENEKETENE - A HIGHLY REACTIVE ALPHA-OXOKETENE, Journal of the American Chemical Society, 120(25), 1998, pp. 6247-6251
CHARACTERIZATION OF LOW-BARRIER HYDROGEN-BONDS - 8 - SUBSTITUENT EFFECTS ON THE STRENGTH AND GEOMETRY OF THE FORMIC-ACID FORMATE ANION MODEL SYSTEM - AN AB-INITIO AND DFT INVESTIGATION
Authors: KUMAR GA MCALLISTER MA
Citation: Ga. Kumar et Ma. Mcallister, CHARACTERIZATION OF LOW-BARRIER HYDROGEN-BONDS - 8 - SUBSTITUENT EFFECTS ON THE STRENGTH AND GEOMETRY OF THE FORMIC-ACID FORMATE ANION MODEL SYSTEM - AN AB-INITIO AND DFT INVESTIGATION, Journal of the American Chemical Society, 120(13), 1998, pp. 3159-3165
CHARACTERIZATION OF LOW-BARRIER HYDROGEN-BONDS - 6 - CAVITY POLARITY EFFECTS ON THE FORMIC-ACID FORMATE ANION MODEL SYSTEM - AN AB-INITIO AND DFT INVESTIGATION
Authors: PAN YP MCALLISTER MA
Citation: Yp. Pan et Ma. Mcallister, CHARACTERIZATION OF LOW-BARRIER HYDROGEN-BONDS - 6 - CAVITY POLARITY EFFECTS ON THE FORMIC-ACID FORMATE ANION MODEL SYSTEM - AN AB-INITIO AND DFT INVESTIGATION, Journal of the American Chemical Society, 120(1), 1998, pp. 166-169
PEPTIDE MODELS .15. THE EFFECT OF BASIS-SET SIZE INCREASE AND ELECTRON CORRELATION ON SELECTED MINIMA OF THE AB-INITIO 2D-RAMACHANDRAN MAP OF FOR-GLY-NH2 AND FOR-L-ALA-NH2
Authors: ENDREDI G PERCZEL A FARKAS O MCALLISTER MA CSONKA GI LADIK J CSIZMADIA IG
Citation: G. Endredi et al., PEPTIDE MODELS .15. THE EFFECT OF BASIS-SET SIZE INCREASE AND ELECTRON CORRELATION ON SELECTED MINIMA OF THE AB-INITIO 2D-RAMACHANDRAN MAP OF FOR-GLY-NH2 AND FOR-L-ALA-NH2, Journal of molecular structure. Theochem, 391(1-2), 1997, pp. 15-26
CHARACTERIZATION OF LOW-BARRIER HYDROGEN-BONDS .5. MICROSOLVATION OF ENOL-ENOLATE - AN AB-INITIO AND DFT INVESTIGATION
Authors: PAN YP MCALLISTER MA
Citation: Yp. Pan et Ma. Mcallister, CHARACTERIZATION OF LOW-BARRIER HYDROGEN-BONDS .5. MICROSOLVATION OF ENOL-ENOLATE - AN AB-INITIO AND DFT INVESTIGATION, Journal of organic chemistry, 62(23), 1997, pp. 8171-8176
CHARACTERIZATION OF LOW-BARRIER HYDROGEN-BONDS .3. HYDROGEN MALEATE -AN AB-INITIO AND DFT INVESTIGATION
Authors: MCALLISTER MA
Citation: Ma. Mcallister, CHARACTERIZATION OF LOW-BARRIER HYDROGEN-BONDS .3. HYDROGEN MALEATE -AN AB-INITIO AND DFT INVESTIGATION, Canadian journal of chemistry, 75(9), 1997, pp. 1195-1202
GENERATION OF 1,2-BISKETENES FROM CYCLOBUTENE-1,2-DIONES BY FLASH-PHOTOLYSIS AND RING-CLOSURE KINETICS
Authors: ALLEN AD COLOMVAKOS JD DIEDERICH F EGLE I HAO XK LIU RH LUSZTYK J MA JH MCALLISTER MA RUBIN Y SUNG K TIDWELL TT WAGNER BD
Citation: Ad. Allen et al., GENERATION OF 1,2-BISKETENES FROM CYCLOBUTENE-1,2-DIONES BY FLASH-PHOTOLYSIS AND RING-CLOSURE KINETICS, Journal of the American Chemical Society, 119(50), 1997, pp. 12125-12130
CHARACTERIZATION OF LOW-BARRIER HYDROGEN-BONDS .7. RELATIONSHIP BETWEEN STRENGTH AND GEOMETRY OF SHORT-STRONG HYDROGEN-BONDS - THE FORMIC-ACID FORMATE ANION MODEL SYSTEM - AN AB-INITIO AND DFT INVESTIGATION
Authors: SMALLWOOD CJ MCALLISTER MA
Citation: Cj. Smallwood et Ma. Mcallister, CHARACTERIZATION OF LOW-BARRIER HYDROGEN-BONDS .7. RELATIONSHIP BETWEEN STRENGTH AND GEOMETRY OF SHORT-STRONG HYDROGEN-BONDS - THE FORMIC-ACID FORMATE ANION MODEL SYSTEM - AN AB-INITIO AND DFT INVESTIGATION, Journal of the American Chemical Society, 119(46), 1997, pp. 11277-11281
CHARACTERIZATION OF LOW-BARRIER HYDROGEN-BONDS .1. MICROSOLVATION EFFECTS - AN AB-INITIO AND DFT INVESTIGATION
Authors: PAN YP MCALLISTER MA
Citation: Yp. Pan et Ma. Mcallister, CHARACTERIZATION OF LOW-BARRIER HYDROGEN-BONDS .1. MICROSOLVATION EFFECTS - AN AB-INITIO AND DFT INVESTIGATION, Journal of the American Chemical Society, 119(32), 1997, pp. 7561-7566
MAGNETIC EVIDENCE FOR THE AROMATICITY AND ANTIAROMATICITY OF CHARGED FLUORENYL, INDENYL, AND CYCLOPENTADIENYL SYSTEMS
Authors: JIAO HJ SCHLEYER PV MO YR MCALLISTER MA TIDWELL TT
Citation: Hj. Jiao et al., MAGNETIC EVIDENCE FOR THE AROMATICITY AND ANTIAROMATICITY OF CHARGED FLUORENYL, INDENYL, AND CYCLOPENTADIENYL SYSTEMS, Journal of the American Chemical Society, 119(30), 1997, pp. 7075-7083
PEPTIDE MODELS .19. SIDE-CHAIN CONFORMATIONAL ENERGY SURFACE E=F((CHI-1,CHI-2)) AND AMIDE-I VIBRATIONAL FREQUENCIES OF N-FORMYL-L-PHENYLALANINAMIDE (FOR-PHE-NH2) IN ITS GAMMA(L) OR GAMMA(INV) OR C-7(EQ) BACKBONE CONFORMATION
Authors: FARKAS O MCALLISTER MA MA JH PERCZEL A HOLLOSI M CSIZMADIA IG
Citation: O. Farkas et al., PEPTIDE MODELS .19. SIDE-CHAIN CONFORMATIONAL ENERGY SURFACE E=F((CHI-1,CHI-2)) AND AMIDE-I VIBRATIONAL FREQUENCIES OF N-FORMYL-L-PHENYLALANINAMIDE (FOR-PHE-NH2) IN ITS GAMMA(L) OR GAMMA(INV) OR C-7(EQ) BACKBONE CONFORMATION, Journal of molecular structure. Theochem, 369, 1996, pp. 105-114
1995 RU LEMIEUX-AWARD-LECTURE - KETENES AND BISKETENES - ORGANIC-CHEMISTRY IN MICROCOSM
Authors: ALLEN AD COLOMVAKOS JD EGLE I LIU RH MA JH MARRA RM MCALLISTER MA TIDWELL TT
Citation: Ad. Allen et al., 1995 RU LEMIEUX-AWARD-LECTURE - KETENES AND BISKETENES - ORGANIC-CHEMISTRY IN MICROCOSM, Canadian journal of chemistry, 74(4), 1996, pp. 457-464
ELECTROPHILIC REACTIVITY OF BISKETENES - AN EXPERIMENTAL AND THEORETICAL-STUDY, AND PHOTOINDUCED HYDRATION
Authors: ALLEN AD MA JH MCALLISTER MA TIDWELL TT ZHAO DC
Citation: Ad. Allen et al., ELECTROPHILIC REACTIVITY OF BISKETENES - AN EXPERIMENTAL AND THEORETICAL-STUDY, AND PHOTOINDUCED HYDRATION, Perkin transactions. 2, (4), 1995, pp. 847-851
PEPTIDE MODELS .7. THE ENDING OF THE RIGHT-HANDED HELICES IN OLIGOPEPTIDES [FOR-(ALA)(N)-NH2 FOR 2-LESS-THAN-OR-EQUAL-TO-N-LESS-THAN-OR-EQUAL-TO-4] AND IN PROTEINS
Authors: PERCZEL A ENDREDI G MCALLISTER MA FARKAS O CSASZAR P LADIK J CSIZMADIA IG
Citation: A. Perczel et al., PEPTIDE MODELS .7. THE ENDING OF THE RIGHT-HANDED HELICES IN OLIGOPEPTIDES [FOR-(ALA)(N)-NH2 FOR 2-LESS-THAN-OR-EQUAL-TO-N-LESS-THAN-OR-EQUAL-TO-4] AND IN PROTEINS, Journal of molecular structure. Theochem, 331(1-2), 1995, pp. 5-10
PEPTIDE MODELS .12. TOPOLOGICAL FEATURES OF MOLECULAR MECHANICS AND AB-INITIO 8D-RAMACHANDRAN MAPS - CONFORMATIONAL DATA FOR AC-(L-ALA)(4)-NHME AND FOR-(L-ALA)(4)-NH2
Authors: ENDREDI G MCALLISTER MA FARKAS O PERCZEL A LADIK J CSIZMADIA IG
Citation: G. Endredi et al., PEPTIDE MODELS .12. TOPOLOGICAL FEATURES OF MOLECULAR MECHANICS AND AB-INITIO 8D-RAMACHANDRAN MAPS - CONFORMATIONAL DATA FOR AC-(L-ALA)(4)-NHME AND FOR-(L-ALA)(4)-NH2, Journal of molecular structure. Theochem, 331(1-2), 1995, pp. 11-26
SILYLATED BISKETENES - ACCESSIBLE AND REACTIVE ORGANIC INTERMEDIATES
Authors: ALLEN AD LIU RH MA JH MCALLISTER MA TIDWELL TT ZHAO DC
Citation: Ad. Allen et al., SILYLATED BISKETENES - ACCESSIBLE AND REACTIVE ORGANIC INTERMEDIATES, Pure and applied chemistry, 67(5), 1995, pp. 777-782
KINETIC AND THEORETICAL-STUDIES OF THE HYDRATION OF CARBON SUBOXIDE
Authors: ALLEN AD MCALLISTER MA TIDWELL TT
Citation: Ad. Allen et al., KINETIC AND THEORETICAL-STUDIES OF THE HYDRATION OF CARBON SUBOXIDE, Journal of the Chemical Society, Chemical Communications, (24), 1995, pp. 2547-2548
Risultati: 1-25 | 26-41