| |
articol de periodic |
1970 |
Revue Roumaine de Chimie, 15-4 |
BALINT, A. (autor)
,
SIMON, Zeno (autor)
,
MRACEC, Mircea (autor)
|
Molecular orbital calculations in the 2,5-diamino-1,4-benzoquinone series. III. Parizer-Parr-Pople calculations for 2,5-bisphenylamino-1,4-benzoquinone |
|
511-513 |
|
| |
articol de periodic |
1970 |
Revue Roumaine de Chimie, 15-5 |
CIUHANDU, G. (autor)
,
MRACEC, Mircea (autor)
|
Dosage photometrique du benzene et de la m-phenylenediamine |
|
757-759 |
|
| |
articol de periodic |
1971 |
Revue Roumaine de Chimie, 16-3 |
MRACEC, Mircea (autor)
,
SIMON, Zeno (autor)
|
Dewar versus Fukui-p-atom model in Oariser-Parr-Pople calculations for heterocycles with phosphous and nitrogen |
|
449-454 |
|
| |
articol de periodic |
1978 |
Revue Roumaine de Chimie, 23-5 |
MRACEC, Mircea (autor)
,
SIMON, Zeno (autor)
|
Hybridization of dicoordinated trivalent and tetracoordinated pentavalent phosphors in conjugated six-membered rings |
|
769-779 |
|
| |
articol de periodic |
1981 |
Revue Roumaine de Chimie, 26-3 |
ISAC, Delia (autor)
,
MRACEC, Mircea (autor)
,
SIMON, Zeno (autor)
|
Structure and reactivity in diazotization reaction |
|
341-348 |
|
| |
articol de periodic |
1985 |
Revue Roumaine de Chimie, 30-7 |
MRACEC, Mircea (autor)
,
MRACEC, Maria (autor)
,
SIMON, Zeno (autor)
|
Optimal parameters in the HNO technique. II. An optimal set of parameters for the hydroxylic phenol function |
|
531-549 |
|
| |
articol de periodic |
1991 |
Revue Roumaine de Chimie, 36-9-10 |
HERDAN, Jean (autor)
,
BALABAN, Alexandru (autor)
,
STOICA, Gerald (autor)
,
SIMON, Zeno (autor)
,
MRACEC, Mircea (autor)
,
NICULESCU-DUVĂZ, Ion (autor)
|
Compunds with potential cancer preventing activity.I. Synthesis, physico-chemical properties and quantum chemical indices of some phenolic and aminophenolic antioxidants |
|
1147-1160 |
|
| |
articol de periodic |
1996 |
Revue Roumaine de Chimie, 41-3-4 |
MRACEC, Mircea (autor)
,
MRACEC, Maria (autor)
,
SCHMIDT, Walter (autor)
,
SALLO, Aurora (autor)
,
TIMOFEI, Simona (autor)
,
KURUNCZI, Ludovic (autor)
,
SIMON, Zeno (autor)
|
PPP-Cl calculations for some azo dyes |
|
275-282 |
|
| |
articol de periodic |
1997 |
Revue Roumaine de Chimie, 42-4 |
MRACEC, Maria (autor)
,
MRACEC, Mircea (autor)
,
KURUNCZI, Ludovic (autor)
|
Aromatic 3-heterocycles. III. Comparison of geometry predicted by semiempirical MO calculations |
|
319-324 |
|
| |
articol de periodic |
1997 |
Revue Roumaine de Chimie, 42-9 |
MRACEC, Maria (autor)
,
MRACEC, Mircea (autor)
,
SIMON, Zeno (autor)
|
Quantitative structure - activity relations for platinum coordination compounds with antitumour activity |
|
799-804 |
|
| |
articol de periodic |
2000 |
Revue Roumaine de Chimie, 45-10 |
MRACEC, Maria (autor)
,
OPREA, Tudor (autor)
,
MRACEC, Mircea (autor)
|
Correlation between experimental electron affinities for aromatic derivatives and the values calculated with semiempirical MO methods |
|
949-954 |
|
| |
articol de periodic |
2000 |
Revue Roumaine de Chimie, 45-11 |
MRACEC, Maria (autor)
,
MRACEC, Mircea (autor)
,
SIMON, Zeno (autor)
|
Aromatic 3-heterocycles. IX |
|
1021-1025 |
|
| |
articol de periodic |
2000 |
Revue Roumaine de Chimie, 45-12 |
ȘTEFĂNESCU, Mircea (autor)
,
SASCA, Viorel (autor)
,
MRACEC, Mircea (autor)
|
Investigation concerning the mechanism and kinetics of copper (II) chromite formation |
|
1063-1070 |
|
| |
articol de periodic |
2001 |
Revue Roumaine de Chimie, 46-10 |
PUTZ, Mihai (autor)
,
CHIRIAC, Adrian (autor)
,
MRACEC, Mircea (autor)
|
Foundations for theory of the chemical field. II |
|
1175-1181 |
|
| |
articol de periodic |
2001 |
Revue Roumaine de Chimie, 46-11 |
MRACEC, Maria (autor)
,
TUDOSE, Ramona (autor)
,
MRACEC, Mircea (autor)
,
COSTIȘOR, Otilia (autor)
|
Conformational analysis of homodinuclear mixed.ligand complexes of irin)II). Iron(III) and cobalt(II) with a pyrazolone derivative and pyridine |
|
1219-1227 |
|
| |
articol de periodic |
2001 |
Revue Roumaine de Chimie, 46-2 |
PUTZ, Mihai (autor)
,
CHIRIAC, Adrian (autor)
,
MRACEC, Mircea (autor)
|
Models of photomobility selectivity in rare gas matrices |
|
153-160 |
|
| |
articol de periodic |
2001 |
Revue Roumaine de Chimie, 46-4 |
PUTZ, Mihai (autor)
,
CHIRIAC, Adrian (autor)
,
MRACEC, Mircea (autor)
|
Foundations for a theory of the chemical field. I General aspects |
|
387-393 |
|
| |
articol de periodic |
2001 |
Revue Roumaine de Chimie, 46-7 |
MRACEC, Maria (autor)
,
SAFTA, Marius (autor)
,
WIKETE, Cornelia (autor)
,
MRACEC, Mircea (autor)
,
COSTIȘOR, Otilia (autor)
|
Steric and electronic considerations on N,N'-piperazin-dipropionic acid as ligard |
|
779-786 |
|
| |
articol de periodic |
2002 |
Revue Roumaine de Chimie, 47-1-2 |
PUTZ, Mihai (autor)
,
CHIRIAC, Adrian (autor)
,
MRACEC, Mircea (autor)
|
Foundations for a theory of the chemical field. III |
|
201-206 |
|
| |
articol de periodic |
2002 |
Revue Roumaine de Chimie, 47-3-4 |
ȘIȘU, Eugen (autor)
,
ȘIȘU, Ioana (autor)
,
DINCĂ, Nicolae (autor)
,
CSUNDERLIK, Carol (autor)
,
OPREAN, Ioan (autor)
,
RUSU, Vasile (autor)
,
MRACEC, Mircea (autor)
|
Nitrobenzophenones and their derivatives. 3 |
|
333-342 |
|
| |
articol de periodic |
2003 |
Revue Roumaine de Chimie, 48-2 |
MRACEC, Maria (autor)
,
MRACEC, Mircea (autor)
,
TUDOSE, Ramona (autor)
,
COSTIȘOR, Otilia (autor)
|
Conformational analysis of homodinuclear mixed-ligand complexes of Co(II) and Cu(II) with pirazolonic mannich bases and benzumidazolic lugands |
|
111-117 |
|
| |
articol de periodic |
2004 |
Revue Roumaine de Chimie, 49-3-4 |
MRACEC, Maria (autor)
,
COSTIȘOR, Otilia (autor)
,
CSEH, Liliana (autor)
,
MRACEC, Mircea (autor)
,
SIMON, Zeno (autor)
|
Steric and electronic considerations on salicylidene-4-methylaniline as a ligand |
|
199-204 |
|
| |
articol de periodic |
2004 |
Revue Roumaine de Chimie, 49-3-4 |
DINCĂ, Nicolae (autor)
,
ȘIȘU, Eugen (autor)
,
MRACEC, Mircea (autor)
,
OPREAN, Ioan (autor)
,
SANDER, Oswald (autor)
|
Differential mass spectrometry (Dif MS) and computational chemistry. Part I |
|
331-338 |
|
| |
articol de periodic |
2004 |
Revue Roumaine de Chimie, 49-5 |
MRACEC, Maria (autor)
,
IVAN, Dana (autor)
,
MRACEC, Mircea (autor)
|
QSAR study for hept derivatives, inhibitors of HIV-1 reverse transcriptase |
|
431-435 |
|
| |
articol de periodic |
2004 |
Revue Roumaine de Chimie, 49-6 |
MRACEC, Maria (autor)
,
MRACEC, Mircea (autor)
,
OLAH, Marius (autor)
,
OPREA, Tudor (autor)
|
QSAR study for 2-carboxy-4-carboxamido-tetrahydro-quinolines as antagonists ob the NMDA receptor |
|
567-572 |
|
| |
articol de periodic |
2006 |
Revue Roumaine de Chimie, 51-2 |
CHIRIAC, Adrian (autor)
,
CIUBOTARU, Dan (autor)
,
FUNAR-TIMOFEI, Simona (autor)
,
KURUNCZI, Ludovic (autor)
,
MRACEC, Maria (autor)
,
MRACEC, Mircea (autor)
,
SZABADAI, Zoltan (autor)
,
ȘECLĂMAN, Edward (autor)
,
SIMON, Zeno (autor)
|
QSAR and 3D-QSAR in Timișoara |
|
79-99 |
|
| |
articol de periodic |
2006 |
Revue Roumaine de Chimie, 51-4 |
MRACEC, Maria (autor)
,
JUCHEL, Laura (autor)
,
MRACEC, Mircea (autor)
|
QSAR anlysis of a series of imidazole derivatives acting on the H3 receptor |
|
287-292 |
|
| |
articol de periodic |
2006 |
Revue Roumaine de Chimie, 51-5 |
CAREJA, Valentin (autor)
,
MRACEC, Mircea (autor)
,
SAYTI, Ludovic (autor)
,
SISU, Eugen (autor)
,
TUDOSE, Ramona (autor)
,
SIMON, Zeno (autor)
|
Comparative study of some ionic bridges implying calcium and magnesium cations by computational methods |
|
379-383 |
|
| |
articol de periodic |
2007 |
Revue Roumaine de Chimie, 52-1-2 |
MRACEC, Maria (autor)
,
RAD, Ramona (autor)
,
OSTOPOVICI, Liliana (autor)
,
BOROTA, Ana (autor)
,
MRACEC, Mircea (autor)
|
Conformational analysis with semiempirical methods for a quinoxaline urea derivative, active on benzodiazepine receptor |
|
195-200 |
|
| |
articol de periodic |
2007 |
Revue Roumaine de Chimie, 52-1-2 |
MRACEC, Maria (autor)
,
BOROTA, Ana (autor)
,
RAD, Ramona (autor)
,
OSTOPOVICI, Liliana (autor)
,
MRACEC, Mircea (autor)
|
Conformational analysis for a series of imidazole ligands acting as antagonists on the histamine H3 receptor |
|
201-206 |
|
| |
articol de periodic |
2007 |
Revue Roumaine de Chimie, 52-8-9 |
OSTOPOVICI, Liliana (autor)
,
RAD, Ramona (autor)
,
BOROTA, Ana (autor)
,
MRACEC (autor)
,
MRACEC, Mircea (autor)
|
Conformational analysis with amber and AM1 methods of a partial agonist, ®-2-((4-phenyl-butylamino(-methyl)-chroman-7-ol active on the dopaminic D2 receptor |
|
837-844 |
|
| |
articol de periodic |
2007 |
Revue Roumaine de Chimie, 52-8-9 |
RAD, Ramona (autor)
,
MRACEC, Maria (autor)
,
OSTAPOVICI, Liliana (autor)
,
BOROTA, Ana (autor)
,
MRACEC, Mircea (autor)
|
QSAR study for a series of imidazo(1,5-A)-quinoxaline and pyrazolo(1,5-C) quinazoline derivatives acting on GABA A/benzodiazepine receptor |
|
845-851 |
|
| |
articol de periodic |
2007 |
Revue Roumaine de Chimie, 52-8-9 |
RAD, Ramona (autor)
,
MRACEC, Maria (autor)
,
MRACEC, Mircea (autor)
,
OPREA, Tudor (autor)
|
The priviliged structures hypothesis for g protein-coupled receptors - som preliminary results |
|
853-858 |
|
| |
articol de periodic |
2007 |
Revue Roumaine de Chimie, 52-8-9 |
SCHULTZ, Mihaela (autor)
,
MRACEC, Maria (autor)
,
SISU, Eugen (autor)
,
MRACEC, Mircea (autor)
|
AM1 conformational analysis of the (3S,5R.6R)-6-acetylamidopenicillanic acid |
|
859-867 |
|
| |
articol de periodic |
2008 |
Revue Roumaine de Chimie, 53-9 |
SCHULZ, Mihaela (autor)
,
MRACEC, Maria (autor)
,
ȘIȘU, Eugen (autor)
,
KURUNCZI, Ludovic (autor)
,
MRACEC, Mircea (autor)
|
PM3 conformational analysis of the (3S,5R,6R)-6 acetylamidopenicillanic acid. I. Geometrical properties |
|
847-858 |
|
| |
articol de periodic |
2009 |
Revue Roumaine de Chimie, 54-2 |
OSTAPOVICI, Halip (autor)
,
BOROTA, Ana (autor)
,
MRACEC, Maria (autor)
,
CURPAN, Ramona (autor)
,
GRUIA, Alexandra (autor)
,
MRACEC, Mircea (autor)
|
3D homology model of the alpha2A adrenergic receptor subtype |
|
157-161 |
|
| |
articol de periodic |
2009 |
Revue Roumaine de Chimie, 54-8 |
MRACEC, Maria (autor)
,
GRUIA, Alexandra (autor)
,
BOROTA, Ana (autor)
,
CURPĂN, Rad (autor)
,
HALIP, Ostopovici (autor)
,
MRACEC, Mircea (autor)
|
QSAR study of a series of quinoline derivatives active on the alpha2 adrenergic receptor subtypes |
|
651-657 |
|
| |
articol de periodic |
2010 |
Revue Roumaine de Chimie, 55-4 |
SCHULZ, Mihaela (autor)
,
MRACEC, Maria (autor)
,
ȘIȘU, Eugen (autor)
,
MRACEC, Mircea (autor)
|
PM3 conformational analysis of the /3S,5R,6R)-6 acetylamidopenicillanic acid, II. Electronic properties |
|
239-247 |
|
| |
articol de periodic |
2010 |
Revue Roumaine de Chimie, 55-5 |
OSTOPOVICI-HALIP, Liliana (autor)
,
BORADA, Ana (autor)
,
GRUIA, Alexandra (autor)
,
MRACEC, Maria (autor)
,
RAD, Curpan (autor)
,
MRACEC, Mircea (autor)
|
3D homology model of the &2B-adrenergic receptor subtype |
|
343-348 |
|
| |
articol de periodic |
2011 |
Revue Roumaine de Chimie, 56-12 |
MARINESCU, Bianca (autor)
,
VISA, Aurelia (autor)
,
ILIESCU, Smaranda (autor)
,
POPA, Adriana (autor)
,
ILIA, Gheorghe (autor)
,
MARINESCU, Valentin (autor)
,
SIMON, Zeno (autor)
,
MRACEC, Mircea (autor)
|
Structural properties of Ni2+vinylphosphonate using PM3 semi-empirical analysis |
|
1137-1145 |
|
| |
articol de periodic |
2011 |
Revue Roumaine de Chimie, 56-4 |
MRACEC, Maria (autor)
,
OPREA, Tudor (autor)
,
MRACEC, Mircea (autor)
|
Models of the algistatic activity of 5-amino-1-aryl-1H-tetrazoles |
|
373-379 |
|
| |
articol de periodic |
2011 |
Revue Roumaine de Chimie, 56-5 |
MARINESCU, Bianca (autor)
,
VISA, Aurelia (autor)
,
MRACEC, Maria (autor)
,
ILIA, Gheorghe (autor)
,
MARINESCU, Valentin (autor)
,
SIMON, Zeno (autor)
,
MRACEC, Mircea (autor)
|
Lammellar Co2+ vinylphosphonate metal organic framework. PM3 semi-empirical analysis of structural properties |
|
473-482 |
|
| |
articol de periodic |
2011 |
Revue Roumaine de Chimie, 56-5 |
SASCA, Viorel (autor)
,
VERDEȘ, Orsina (autor)
,
AVRAM, Livia (autor)
,
POPA, Alexandru (autor)
,
BASRVINSCHI, Paul (autor)
,
MRACEC, Mircea (autor)
|
Non-isothermal kinetic study of the constitutional water loss from 12-tungstophosphoric acid and some of its acidic cesium salts |
|
501-516 |
|
| |
articol de periodic |
2012 |
Revue Roumaine de Chimie, 57-1 |
MARGAN, Daniela (autor)
,
BOROTA, Ana (autor)
,
MRACEC, Maria (autor)
,
MRACEC, Mircea (autor)
|
3D homology model of the human prostaglandin E2 receptor EP4 subtype |
|
39-44 |
|
| |
articol de periodic |
2012 |
Revue Roumaine de Chimie, 57-2 |
MARGAN, Daniela (autor)
,
ILIA, Gheorghe (autor)
,
BOROTA, Ana (autor)
,
MRACEC, Mircea (autor)
|
Conformational analysis for prostaglandin E2. I. |
|
121-129 |
|
| |
articol de periodic |
2012 |
Revue Roumaine de Chimie, 57-4-5 |
MARGAN, Daniela (autor)
,
ILIA, Gheorghe (autor)
,
BOROTA, Ana (autor)
,
MRACEC, Mircea (autor)
|
Conformational analysis of prostaglandin E2. II |
|
449-456 |
|
| |
articol de periodic |
2012 |
Revue Roumaine de Chimie, 57-7-8 |
ANGHEL, Mariana (autor)
,
VLASE, Titus (autor)
,
VLASE, Gabriela (autor)
,
ALBU, Paul (autor)
,
DOCA, Nicolae (autor)
,
TOLAN, Oilanda (autor)
,
MRACEC, Mircea (autor)
|
Hyphenated techniques used by evaluation of Thermal behaviour of glycyrrhetinic acid |
|
747-753 |
|
| |
articol de periodic |
2012 |
Revue Roumaine de Chimie, 57-7-8 |
HALIP, Liliana (autor)
,
GRUIA, Alexandra (autor)
,
BOROTA, Ana (autor)
,
MRACEC, Martia (autor)
,
CURPAN, Ramona (autor)
,
MRACEC, Mircea (autor)
|
3D homology model of the &2C-adrenergic receptor subtype |
|
763-768 |
|
| |
articol de periodic |
2013 |
Revue Roumaine de Chimie, 58-4-5 |
IVAN, Daniela (autor)
,
FUNAR-TIMOFEI, Simona (autor)
,
MEDELEANU, Mihai (autor)
,
MRACEC, Maria (autor)
,
MRACEC, Mircea (autor)
|
Formation enthalpy for conformers of (3S,5S,6S)-6-acetylamidopenicillanic acid calculated by the OM6 and PM7 semiempirical mo methods |
|
463-472 |
|
| |
articol de periodic |
2014 |
Revue Roumaine de Chimie, 59-11-12 |
MEDELEANU, Mihai (autor)
,
MRACEC, Maria (autor)
,
POP, Oana (autor)
,
MOCANU, Liviu (autor)
,
MRACEC, Mircea (autor)
|
Aromatic 3-heterocycles. 19. Thermodynamic stability of alternant conjugated heterocycles ( 3-X- 3-Y)3(X,Y=Ch,N,P,As,Sb,Bi) calculated semiempirical M0, ab initio and DFT methods |
|
1077-1087 |
|
| |
articol de periodic |
2014 |
Revue Roumaine de Chimie, 59-3-4 |
VISA, Aurelia (autor)
,
MĂRCULESCU, Bianca (autor)
,
MRACEC, Mircea (autor)
|
Electronic properties of Cu2+ vinylophonate estimeted by PM3 semiempirical method |
|
185-191 |
|
| |
articol de periodic |
2014 |
Revue Roumaine de Chimie, 59-6-7 |
GRUIA, Alexandra (autor)
,
CURPAN, Ramona (autor)
,
BOROTA, Ana (autor)
,
HALIP, Liliana (autor)
,
MRACEC, Maria (autor)
,
MRACEC, Mircea (autor)
|
Phenyl and imidazole ring rotation in neural and protonated dexmedetomidine a semiempirical and ab initio study |
|
605-612 |
|
| |
articol de periodic |
2015 |
Revue Roumaine de Chimie, 60-2-3 |
MRACEC, Maria (autor)
,
MRACEC, Mircea (autor)
|
QSAR study of 4-hydroxybiphenol derivatives active on Erbeta subtype |
|
151-160 |
|
| |
articol de periodic |
2015 |
Revue Roumaine de Chimie, 60-2-3 |
BOROTA, Ana (autor)
,
BORA, Alina (autor)
,
HALIP, Liliana (autor)
,
CURPAN, Ramona (autor)
,
MRACEC, Maria (autor)
,
MRACEC, Mircea (autor)
|
3D homology model of the human prostanoid receptors hEP3 and docking studies |
|
161-166 |
|
| |
articol de periodic |
2015 |
Revue Roumaine de Chimie, 60-9 |
PASCARIU, Mihai-Cosmin (autor)
,
CIOPĂNOIU, Ioana-Ramona (autor)
,
MITAR, Carmen (autor)
,
MRACEC, Mircea (autor)
,
ȘIȘU, Eugen (autor)
|
Exploring the possibility of anchimeric assistance in alkyl sugar cations by computational methos |
|
881-889 |
|
| |
articol de periodic |
2016 |
Revue Roumaine de Chimie, 61-4-5 |
MEDELEANU, Mihai (autor)
,
OLARIU, Tudor (autor)
,
GEORGESCU, Doina (autor)
,
ȘIȘU, Eugen (autor)
,
MRACEC, Maria (autor)
,
MRACEC, Mircea (autor)
|
Conformational analysis and formation enthalpy of (3R,5S,6R(-6-acetylamidopenicillanic acid calculated by the OM3, Pm6 and PM7 semiempirical MO methods |
|
445-458 |
|
| |
articol de periodic |
2016 |
Revue Roumaine de Chimie, 61-6-7 |
MEDELEANU, Mihai (autor)
,
PASCARIU, Mihai (autor)
,
ȘIȘU, Eugen (autor)
,
OLARIU, Tudor (autor)
,
GEORGESCU, Doina (autor)
,
MRACEC, Maria (autor)
,
MRACEC, Mircea (autor)
|
Entropic effect and thermodynamic properties fot the conformes of /2R,5S,6R)-6-acetylamidopenicillanic acid calculated with the PM3, PM6 and PM/ semiempirical MO methods |
|
597-607 |
|
| |
articol de periodic |
1973 |
Studii și Cercetări de Chimie, 21-2 |
MRACEC, Mircea (autor)
|
Molecular Orbitals |
|
243-244 |
|
