AAAAAA

   
Results: 1-25 | 26-49
Results: 1-25/49
HARDNESS AND CHEMICAL-POTENTIAL PROFILES FOR SOME OPEN-SHELL HAB-]-HBA TYPE REACTIONS - AB-INITIO AND DENSITY-FUNCTIONAL STUDY
Authors: KAR T SCHEINER S SANNIGRAHI AB
Citation: T. Kar et al., HARDNESS AND CHEMICAL-POTENTIAL PROFILES FOR SOME OPEN-SHELL HAB-]-HBA TYPE REACTIONS - AB-INITIO AND DENSITY-FUNCTIONAL STUDY, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(29), 1998, pp. 5967-5973
INTERMOLECULAR H-CENTER-DOT-CENTER-DOT-CENTER-DOT-H BONDING AND PROTON-TRANSFER IN SEMISANDWICH RE AND RU COMPLEXES
Authors: ORLOVA G SCHEINER S
Citation: G. Orlova et S. Scheiner, INTERMOLECULAR H-CENTER-DOT-CENTER-DOT-CENTER-DOT-H BONDING AND PROTON-TRANSFER IN SEMISANDWICH RE AND RU COMPLEXES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(25), 1998, pp. 4813-4818
INTERMOLECULAR MH-CENTER-DOT-CENTER-DOT-CENTER-DOT-HR BONDING IN MONOHYDRIDE MO AND W COMPLEXES
Authors: ORLOVA G SCHEINER S
Citation: G. Orlova et S. Scheiner, INTERMOLECULAR MH-CENTER-DOT-CENTER-DOT-CENTER-DOT-HR BONDING IN MONOHYDRIDE MO AND W COMPLEXES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(1), 1998, pp. 260-269
INTERMOLECULAR AND INTRAMOLECULAR HYDROGEN-BONDS WITH TRANSITION-METAL ATOMS IN METALLOCENES OF THE IRON SUBGROUP
Authors: ORLOVA G SCHEINER S
Citation: G. Orlova et S. Scheiner, INTERMOLECULAR AND INTRAMOLECULAR HYDROGEN-BONDS WITH TRANSITION-METAL ATOMS IN METALLOCENES OF THE IRON SUBGROUP, Organometallics, 17(20), 1998, pp. 4362-4367
EFFECT OF NONPROXIMATE ATOMIC SUBSTITUTION ON EXCITED-STATE INTRAMOLECULAR PROTON-TRANSFER
Authors: CUMA M THOMPSON C SCHEINER S
Citation: M. Cuma et al., EFFECT OF NONPROXIMATE ATOMIC SUBSTITUTION ON EXCITED-STATE INTRAMOLECULAR PROTON-TRANSFER, Journal of computational chemistry, 19(2), 1998, pp. 129-138
AB-INITIO CALCULATIONS OF HARDNESS AND CHEMICAL-POTENTIAL OF OPEN-SHELL SYSTEMS USING SCF, MP2 AND MP4 METHODS
Authors: KAR T SCHEINER S SANNIGRAHI AB
Citation: T. Kar et al., AB-INITIO CALCULATIONS OF HARDNESS AND CHEMICAL-POTENTIAL OF OPEN-SHELL SYSTEMS USING SCF, MP2 AND MP4 METHODS, Journal of molecular structure. Theochem, 427, 1998, pp. 79-85
COMPETITION BETWEEN ROTAMERIZATION AND PROTON-TRANSFER IN O-HYDROXYBENZALDEHYDE
Authors: CUMA M SCHEINER S KAR T
Citation: M. Cuma et al., COMPETITION BETWEEN ROTAMERIZATION AND PROTON-TRANSFER IN O-HYDROXYBENZALDEHYDE, Journal of the American Chemical Society, 120(40), 1998, pp. 10497-10503
IONIC HYDROGEN-BONDS IN BIOENERGETICS - 3 - PROTON TRANSPORT IN MEMBRANES, MODELED BY KETONE WATER CLUSTERS/
Authors: MEOTNER M SCHEINER S YU WO
Citation: M. Meotner et al., IONIC HYDROGEN-BONDS IN BIOENERGETICS - 3 - PROTON TRANSPORT IN MEMBRANES, MODELED BY KETONE WATER CLUSTERS/, Journal of the American Chemical Society, 120(28), 1998, pp. 6980-6990
EXCITED-STATE INTRAMOLECULAR PROTON-TRANSFER IN ANIONIC ANALOGS OF MALONALDEHYDE
Authors: SCHEINER S KAR T CUMA M
Citation: S. Scheiner et al., EXCITED-STATE INTRAMOLECULAR PROTON-TRANSFER IN ANIONIC ANALOGS OF MALONALDEHYDE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(33), 1997, pp. 5901-5909
INFLUENCE OF ISOTOPIC-SUBSTITUTION ON STRENGTH OF HYDROGEN-BONDS OF COMMON ORGANIC GROUPS
Authors: CUMA M SCHEINER S
Citation: M. Cuma et S. Scheiner, INFLUENCE OF ISOTOPIC-SUBSTITUTION ON STRENGTH OF HYDROGEN-BONDS OF COMMON ORGANIC GROUPS, Journal of physical organic chemistry, 10(5), 1997, pp. 383-395
STRUCTURE, ENERGETICS AND VIBRATIONAL-SPECTRA OF DIMERS, TRIMERS, ANDTETRAMERS OF HX (X=CL, BR, I)
Authors: LATAJKA Z SCHEINER S
Citation: Z. Latajka et S. Scheiner, STRUCTURE, ENERGETICS AND VIBRATIONAL-SPECTRA OF DIMERS, TRIMERS, ANDTETRAMERS OF HX (X=CL, BR, I), Chemical physics, 216(1-2), 1997, pp. 37-52
BN-NAPHTHALENE AND CARBON-CONTAINING DERIVATIVES - AN AB-INITIO STUDY
Authors: KAR T ELMORE DE SCHEINER S
Citation: T. Kar et al., BN-NAPHTHALENE AND CARBON-CONTAINING DERIVATIVES - AN AB-INITIO STUDY, Journal of molecular structure. Theochem, 392, 1997, pp. 65-74
3-CENTER BOND INDEX PROFILES
Authors: KAR T SCHEINER S
Citation: T. Kar et S. Scheiner, 3-CENTER BOND INDEX PROFILES, Journal of molecular structure. Theochem, 370(1), 1996, pp. 45-49
A RANDOMIZED TRIAL OF TIRILAZAD MESYLATE IN PATIENTS WITH ACUTE STROKE (RANTTAS)
Authors: SCOTT P BARSAN W FREDERIKSEN S KRONICK S ZINK BJ DOMEIER RM MITCHINER JC JUDGE FP LEVY RJ ALEXIOU A REINCKE H SEGALL JD WALTERS B SWOR R GILROY J GOETTING M JACKSON R RICHARDSON D CISEK J RANDALL J SCHECTER S WILKINSON K WALTERS BL ADAMS R CARL E NICHOLS F HESS D BOOP B EARLEY C SMITH DR KAPLAN P JOHNSON C MORROW C FROHMAN E PORTER N FLANIGAN K MORGANSTERN L HOLLAND N STEIN A ALDRICH E OYLER G FAUGHT E MITCHELL V LIU H THOMAS F WENZEL D DAJANI BM PAN JL YAPUNDICH R FUTATSUGI Y GEERLINGS S MOSKOWITZ T NICHOLAS A BROCKINGTON J COLLINS A BAILEY JM TSENG A KOROSHETZ WJ CAN U FELIX A CUDKOWTICZ M BUONANNO F SCHWAMM L ELKIND M KISTLER JP FINKELSTEIN S CHA J MURPHY S BLUMENFELD H LOPEZBRESNAHAN M CAN U GOSLIN K CRAMER S SUWANWELA N HOMER D CARPENTER J WITYK R MICHEL N GRUFFERMAN S LITT B WEISS H GUYOT A PETERSON P TVARDEK L SCHMIDT J DESHPANDE A FREIJ W GANDHI B MINHAS F SHAH J ZAHKA C PENN A SHERMAN J LI YL ELLEKER MG STENERSON P BROOKE H ALJUMAH M ALAYAFY H POKROY R HOPPE B PASCUZZI R FARLOW M RIGHTMYER D BALES M CARESS J PETTIGREW C WAUGH C ROCKICH A FALLIS R TIKHTMAN A STARKMAN S SCHUBERT G DOBKIN B MARTIN N SAVER J HANSON S WEAVER A PORTH K MAGANA R DAVENPORT J TAYLOR F FREKING D HEROS DO SCHNEK E ALTER M RIBEIRO R LLOYD M SCHEINER S PUFF A BOYLE S GUPTA N WHITE K CARNEY S MOULTON M LACAPRA S HASSARD D RIZWAN S SHAH A NEWMARK A GUPTA A CONE D KHAN I COHEN B BOPARI R OCONNELL J HUSSIAN A PATIL K SHOJARI J RIBEIRO R BELL R GZECH D MAZER T GROTHUSEN J REYES P ARASTU J STRASSBURGER T THOMAS C WOLFE R FANG J SCAVINA M WOLFE W ZEIDWERG D CHAVIN J SHACHAR O SANDLER L MCGARREN D JAMIESON DG GONNELLA C BOSLEY TM POLLACK DA ANDREFSKY JC HARIHARAN S CHANG A LAMONTE MP CHAMPELLONE J HOOKER HC FELLUS J SOSA V RAAF S FRIEDMAN M BURCH G ATKINS D FOLEY C BIVINS D ELIAS W NOLAN D SISK M WILSON J LLOYD A STEPHENS G SURRUSCO R LOTHES C HUMPHRIES W PASTEMAK S DONATO M MANETTA E MITCHELL J BRIGGS A RORRER M OFFERMANN P GROVER W BOLTON B LYDEN P LEWIS S RAPP K BRODY M ROTHROCK J JACKSON C HUOTT P KUSHIDA C LISS J ZWEIFER R CAYLOR L PHAN D MAHDAVI Z TOM T NOACK H FORDE G CAMERON D GRIESDALE B MAKIN V BOZEK CB SHEPPARD G MASSEY S ZONTINE D CROWE N GUSTIN K CAPONE P FEASBY TE ROBERTSON C RORICK M WINKELMAN M LISKAY A SCHMIDLEY J COLE M ALJABERI M ANAGNOS A ANDERSON M BAMFORD C FREDERICKSON E GORDON J GROSSER S KORI A KUNTZ A MURAD M NASREDDINE W PETTEE A RIACHI N SCHECHT H STAHL J SORIANO J SUNSHINE J SUAREZ J VANDERSLUIS J ALLANHAM Y RAMAHI A SHUAIB A KADRIBASIC E STEWART B BEAUDRY M BOIVIN D LYONS G DOUGAL RL SIMSARIAN JP MCGARVEY M GRASS D SIGMUND L KURTZKE R EBERLY L LIPPS D FESENMEIER JT VIATER K ALONZO R COOPER W SCOTT J BUSTION P PAPPAS J FRAZER M HALEY EC ALVES W KASSELL NF JOHNSTON KC FORD G SOLENSKI N SHREVE DL WILKINSON SS CLEMENTS S CUCCIA E ELDER L KELLER M LACKEY R MIMMS K PROTZMAN P SPARROW L LIGHTFOOT A LIGHTFOOT AE BOCCHICCHIO BE HALLEY P POLIN A POLIN R HWANG LJ WOLF MC TRUSKOWSKI LL GALBRIETH C JOHNSON R JOHNSON S HILL C WILSON B BARTLEY A FORD G RUMFELT M WINGATE V SMITH M CHILDRESS T POWERS WJ WALKER M FLEISS JL FRANKEL M SIMON RP MARLER J ADAMS HP BROTT TG CHOI S KURTZKE JF TORNER JC PETERS GR ECKERT S BRYAN WJ BOLOGA ML LEGACE D BRENNAN KM
Citation: P. Scott et al., A RANDOMIZED TRIAL OF TIRILAZAD MESYLATE IN PATIENTS WITH ACUTE STROKE (RANTTAS), Stroke, 27(9), 1996, pp. 1453-1458
PROTON-TRANSFER PROPERTIES OF IMIDAZOLE
Authors: SCHEINER S YI MY
Citation: S. Scheiner et My. Yi, PROTON-TRANSFER PROPERTIES OF IMIDAZOLE, Journal of physical chemistry, 100(22), 1996, pp. 9235-9241
COMPLEXING OF THE AMMONIUM ION BY POLYETHERS - COMPARATIVE COMPLEXINGTHERMOCHEMISTRY OF AMMONIUM, HYDRONIUM, AND ALKALI CATIONS
Authors: MAUTNER MMN SIECK LW LIEBMAN JF SCHEINER S
Citation: Mmn. Mautner et al., COMPLEXING OF THE AMMONIUM ION BY POLYETHERS - COMPARATIVE COMPLEXINGTHERMOCHEMISTRY OF AMMONIUM, HYDRONIUM, AND ALKALI CATIONS, Journal of physical chemistry, 100(16), 1996, pp. 6445-6450
INFLUENCE OF ELECTRON CORRELATION-EFFECTS ON CALCULATED PROPERTIES AND VIBRATIONAL-SPECTRA OF FF-NH3 AND FCL-NH3 CHARGE-TRANSFER COMPLEXES
Authors: LATAJKA Z SCHEINER S BOUTEILLER Y RATAJCZAK H
Citation: Z. Latajka et al., INFLUENCE OF ELECTRON CORRELATION-EFFECTS ON CALCULATED PROPERTIES AND VIBRATIONAL-SPECTRA OF FF-NH3 AND FCL-NH3 CHARGE-TRANSFER COMPLEXES, Journal of molecular structure, 376, 1996, pp. 343-351
CHARACTERIZATION OF GROUND AND EXCITED ELECTRONIC-STATE DEPROTONATIONENERGIES OF SYSTEMS CONTAINING DOUBLE-BONDS USING NATURAL BOND ORBITAL ANALYSIS
Authors: BADENHOOP JK SCHEINER S
Citation: Jk. Badenhoop et S. Scheiner, CHARACTERIZATION OF GROUND AND EXCITED ELECTRONIC-STATE DEPROTONATIONENERGIES OF SYSTEMS CONTAINING DOUBLE-BONDS USING NATURAL BOND ORBITAL ANALYSIS, The Journal of chemical physics, 105(11), 1996, pp. 4675-4691
PROTON-TRANSFER BETWEEN PHENOL AND AMMONIA IN-GROUND AND EXCITED ELECTRONIC STATES
Authors: YI MY SCHEINER S
Citation: My. Yi et S. Scheiner, PROTON-TRANSFER BETWEEN PHENOL AND AMMONIA IN-GROUND AND EXCITED ELECTRONIC STATES, Chemical physics letters, 262(5), 1996, pp. 567-572
RELATIVE STABILITY OF HYDROGEN AND DEUTERIUM BONDS
Authors: SCHEINER S CUMA M
Citation: S. Scheiner et M. Cuma, RELATIVE STABILITY OF HYDROGEN AND DEUTERIUM BONDS, Journal of the American Chemical Society, 118(6), 1996, pp. 1511-1521
SITE-SITE FUNCTION AND SUCCESSIVE REACTION COUNTERPOISE CALCULATION OF BASIS-SET SUPERPOSITION ERROR FOR PROTON-TRANSFER
Authors: ABKOWICZ AJ LATAJKA Z SCHEINER S CHALASINSKI G
Citation: Aj. Abkowicz et al., SITE-SITE FUNCTION AND SUCCESSIVE REACTION COUNTERPOISE CALCULATION OF BASIS-SET SUPERPOSITION ERROR FOR PROTON-TRANSFER, Journal of molecular structure. Theochem, 342, 1995, pp. 153-159
AB-INITIO STUDY OF THE STRUCTURE OF GUANINE-CYTOSINE BASE-PAIR CONFORMERS IN GAS-PHASE AND POLAR-SOLVENTS
Authors: FLORIAN J LESZCZYNSKI J SCHEINER S
Citation: J. Florian et al., AB-INITIO STUDY OF THE STRUCTURE OF GUANINE-CYTOSINE BASE-PAIR CONFORMERS IN GAS-PHASE AND POLAR-SOLVENTS, Molecular physics, 84(3), 1995, pp. 469-480
TRANSFER OF A PROTON BETWEEN N ATOMS IN EXCITED ELECTRONIC STATES OF 1,5-DIAZA-1,3-PENTADIENE
Authors: ROVIRA MC SCHEINER S
Citation: Mc. Rovira et S. Scheiner, TRANSFER OF A PROTON BETWEEN N ATOMS IN EXCITED ELECTRONIC STATES OF 1,5-DIAZA-1,3-PENTADIENE, Journal of physical chemistry, 99(24), 1995, pp. 9854-9861
HARDNESS PROFILES OF SOME 1,2-HYDROGEN SHIFT REACTIONS
Authors: KAR T SCHEINER S
Citation: T. Kar et S. Scheiner, HARDNESS PROFILES OF SOME 1,2-HYDROGEN SHIFT REACTIONS, Journal of physical chemistry, 99(20), 1995, pp. 8121-8124
HYDROGEN-BONDING AND PROTON-TRANSFER IN THE GROUND AND LOWEST EXCITEDSINGLET-STATES OF O-HYDROXYACETOPHENONE
Authors: VENER MV SCHEINER S
Citation: Mv. Vener et S. Scheiner, HYDROGEN-BONDING AND PROTON-TRANSFER IN THE GROUND AND LOWEST EXCITEDSINGLET-STATES OF O-HYDROXYACETOPHENONE, Journal of physical chemistry, 99(2), 1995, pp. 642-649
Risultati: 1-25 | 26-49