Branko S. Jursic
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Branko S. Jursicchemistry Degrees
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Chemistry
Branko S. Jursic's Degrees
- PhD Chemistry University of California, Berkeley
- Masters Chemical Engineering Stanford University
- Bachelors Chemical Engineering Stanford University
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(Suggest an Edit or Addition)Branko S. Jursic's Published Works
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Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Second generation hybrid polar compounds are potent inducers of transformed cell differentiation. (1996) (433)
- Anticancer activity for 4,4'-dihydroxybenzophenone-2,4-dinitrophenylhydrazone (A-007) analogues and their abilities to interact with lymphoendothelial cell surface markers. (2002) (157)
- A Simple Preparation of Amides from Acids and Amines by Heating of Their Mixture (1993) (112)
- Synthesis and antifungal activity of substituted salicylaldehyde hydrazones, hydrazides and sulfohydrazides. (2014) (111)
- Theoretical investigation of cis-nitric oxide dimer with hybrid density functional theory methods (1995) (89)
- Preparation of tetrazoles from organic nitriles and sodium azide in micellar media (1998) (85)
- Theoretical investigation of cis‐ and trans‐nitric oxide dimers with ab initio and density functional Gaussian‐type orbital approach (1995) (85)
- The evaluation of nitrogen containing bond dissociation energies using the ab initio and density functional methods (1996) (83)
- DFT study of the Diels–Alder reactions between ethylene with buta-1,3-diene and cyclopentadiene (1995) (78)
- Density functional theory study of radical hydrogen abstraction with hydrogen and hydroxyl radicals (1996) (72)
- A STUDY OF NITROGEN OXIDES BY USING DENSITY FUNCTIONAL THEORY AND THEIR COMPARISON WITH AB INITIO AND EXPERIMENTAL DATA (1996) (65)
- Computing the heat of formation for cubane and tetrahedrane with density functional theory and complete basis set ab initio methods (2000) (65)
- Computation of bond dissociation energy for sulfides and disulfides with ab initio and density functional theory methods (1997) (65)
- Computation of Electron Affinities of O and F Atoms, and Energy Profile of F-H2 Reaction by Density Functional Theory and Ab Initio Methods (1996) (64)
- CH and Chalogen bond dissociation energies for fluorinated and chlorinated methane evaluated with hybrid B3LYP density functional theory methods and their comparison with experimental data and the CBS-Q ab initio computational approach (1998) (62)
- Computing Transition State Structures with Density Functional Theory Methods (1996) (62)
- Theoretical investigation of F2NNO and F2NNO2 with density functional theory methods (1995) (59)
- Calculation of bond dissociation energies for oxygen containing molecules by ab initio and density functional theory methods (1996) (56)
- Density functional calculations of difluorodiazete structures with Gaussian-orbital-type approach (1996) (56)
- Preparation of 5-Alkylthio and 5-Arylthiotetrazoles from Thiocyanates Using Phase Transfer Catalysis (1998) (55)
- Pyrolyses of Aromatic Azines: Pyrazine, Pyrimidine, and Pyridine (1997) (54)
- Hybrid density functional theory study of proton transfer between methane and methyl radical (1995) (54)
- Synthesis and antifungal activity of substituted 2,4,6-pyrimidinetrione carbaldehyde hydrazones. (2014) (53)
- Comparison of AM1 and density functional theory generated transition state structures and activation energies for cyanoalkenes addition to cyclopentadiene (1995) (52)
- Rates of hydrolysis of N-acetylazoles: semiempirical calculations compared to experimental values (1994) (52)
- Density functional Gaussian‐type orbital approach in theoretical study of S2F2 isomerization (1996) (48)
- Unimolecular Dissociation in Allene and Propyne: The Effect of Isomerization on the Low-Pressure Rate (1997) (48)
- Computation of structures of phosphorus fluorides with ab initio and density functional methods (1996) (48)
- Computation of bond dissociation energies of substituted methanes with density functional theory (1996) (46)
- A simple method for knoevenagel condensation of α,β‐conjugated and aromatic aldehydes with barbituric acid (2001) (45)
- Preparation of 5-formyl- and 5-acetylbarbituric acids, including the corresponding Schiff bases and phenylhydrazones (2001) (45)
- The density functional theory investigation of the equilibrium structures of OOF, FOOF, OOF2, and FOOOF (1996) (44)
- Design, synthesis, and anticancer properties of 4,4'-dihydroxybenzophenone-2,4-dinitrophenylhydrazone and analogues. (2003) (44)
- Hybrid density functional theory and quadratic complete basis set ab initio computational study of structural properties, vibrational spectra, and bond dissociation energy for methyl aluminum and methyl gallium (1998) (43)
- Computational studies of bond dissociation energies, ionization potentials, and heat of formation for NH and NH+. Are hybrid density functional theory methods as accurate as quadratic complete basis set and Gaussian-2 ab initio methods? (1998) (42)
- Exploring the potential energy surface of the hydrogen abstraction reaction from hydrochloric acid with hydrogen and methyl radicals using ab initio and density functional theory methods. An example of a polar radical hydrogen abstraction reaction (1997) (42)
- Density functional theory and ab initio study of bond dissociation energy for peroxonitrous acid and peroxyacetyl nitrate (1996) (42)
- Synthetic application of micellar catalysis. williamson's synthesis of ethers (1988) (41)
- Ab initio and density functional theory study of the diazene isomerization (1996) (39)
- Preparation of dibarbiturates of oxindole by condensation of isatin and barbituric acid derivatives (2002) (39)
- Quadratic complete basis set ab initio andhybrid density functional theory studies of the stability of HNC, HCN,H2NCH and HNCH2, their isomerizations, and thehydrogen insertion reactions for HCN and HNC (1997) (38)
- An efficient regioselective NBS aromatic bromination in the presence of an ionic liquid (2010) (37)
- Theoretical investigation of the conrotatory ring opening of cyclobutene and 1, 2‐dihydro‐1, 2‐diazacyclobutadienes with ab initio and density functional Gaussian‐type‐orbital approach (1995) (36)
- A density functional theory estimation of the heat of formation for FOOCl (1997) (36)
- Hybrid density functional theory, Gaussian, and complete basis set ab initio studies of the stability of aluminium monocarbonyl and aluminium isocarbonyl (1997) (36)
- Molecular modeling methodology of β-cyclodextrin inclusion complexes (1996) (36)
- Density functional theory and ab initio study of CH 3NC and HNC isomerization (1996) (35)
- A Density Functional Theory Study of Secondary Orbital Overlap in Endo Cycloaddition Reactions. An Example of a Diels-Alder Reaction between Butadiene and Cyclopropene. (1997) (34)
- The estimation of the aromaticity of five‐membered and benzo fused five‐membered rings by the hybrid DFT computed magnetic properties (1996) (34)
- Mono C-alkylation and mono C-benzylation of barbituric acids through zinc/acid reduction of acyl, benzylidene, and alkylidene barbiturate intermediates (2003) (33)
- Enantiomer discrimination arising from solute-solute interactions in partially resolved chloroform solutions of chiral carboxamides (1992) (32)
- The determination of the equilibrium structures of oxygen, ozone, and hydrogen peroxide using the ab initio and density functional theory methods (1997) (32)
- A new facile method for preparation of heterocyclic α-iminonitriles and α-oxoacetic acid from heterocyclic aldehydes, p-aminophenol, and sodium cyanide (2002) (31)
- Cycloaddition extrusion reactions in the preparation of pyrroles. A DFT-AM1 theoretical study (1996) (31)
- Pyrolysis of cyclopentadiene: Rates for initial C−H bond fission and the decomposition of c-C5H5 (1998) (30)
- Comparison of AM1 and PM3 semiempirical to ab initio methods in the study of Diels-Alder reactions of butadiene and cyclopentadiene with cyanoethylenes (1994) (29)
- Ab Initio and Density Functional Theory Study of the Ethylene Cycloaddition Reaction to 4H-Pyrazole (1995) (29)
- Unique charge-separated pyridinium-barbituric acid zwitterions. (2002) (29)
- Reductive C-alkylation of barbituric acid derivatives with carbonyl compounds in the presence of platinum and palladium catalysts ☆ (2001) (29)
- Study of ring opening of 1,2-diformyl-1,2-diazacyclobutene by ab initio and density functional Gaussian-type-orbital approach (1995) (29)
- Theoretical investigation of thionyl and sulfuryl dihalide structures using density functional theory methods (1997) (28)
- Complete basis set ab initio computational study of rearrangement and fragmentation processes in methanethiol and dimethyl sulfide radical cations decomposition (1998) (28)
- Compete basis set ab initio study of monocomplexation of aluminum with H2O, NH3, and HF (1998) (28)
- COMPUTATION OF GEOMETRIES AND FREQUENCIES OF SINGLET AND TRIPLET NITROMETHANE WITH DENSITY FUNCTIONAL THEORY USING GAUSSIAN-TYPE ORBITALS (1997) (28)
- Density functional theory study of ethene and acetylene addition to oxazole and protonated oxazole (1996) (27)
- Can hybrid DFT methods correctly compute the potential energy surface formic acid dimerization and proton transfer in the formic acid dimer? A comparison of hybrid DFT computed values with experimental and G1, G2, and G2MP2 generated data (1997) (27)
- Computing heats of formation from CBS-Q total energies and the experimental heats of vaporization of graphite and rhombic sulfur (1998) (27)
- Ab initio and density function theory computational studies of the CH4 + H → CH3 + H2 reaction (1998) (26)
- Study of the lorazepam: cyclodextrin inclusion complexes using electrospray ionization mass spectrometry (2001) (26)
- Ab initio and hybrid density functional theory studiesof the forward and reverse barriers for theC2H4 + H → C2H5 reaction (1997) (25)
- Electron affinities of metals computed by density functional theory and ab initio methods (1997) (25)
- Study of trichloromethyl radical proton abstraction reaction with ab initio and density functional theory methods (1996) (24)
- Comparison of the reactivity of thiophene, thiophene 1‐oxide, and thiophene 1,1‐dioxide as diene for diels‐alder reactions. An ami semiempirical study (1995) (24)
- Trafficking through the Late Endosome Significantly Impacts Candida albicans Tolerance of the Azole Antifungals (2015) (24)
- Hybrid and gradient-corrected density functional theory computations of the cubane infrared and raman spectra (1997) (24)
- Complete basis set ab initio and hybrid density functional theory exploration of the potential energy surface in the reaction between an amino radical and nitrogen oxide (1998) (24)
- Suitability of furan, pyrrole and thiophene as dienes for Diels–Alder reactions viewed through their stability and reaction barriers for reactions with acetylene, ethylene and cyclopropene. An AM1 semiempirical and B3LYP hybrid density functional theory study (1998) (24)
- Complete basis set ab initio computational study of ionization potential, electron affinity and the C-F bond dissociation energy for perfluorinated methane derivatives (1998) (24)
- Reliability of hybrid density theory—semiempirical approach for evaluation of bond dissociation energies (1999) (24)
- COMPUTATION OF THE HEATS OF FORMATION OF CYCLOPROPANE AND CYCLOBUTANE DERIVATIVES USING DENSITY FUNCTIONAL THEORY METHODS (1997) (23)
- Comparison of microwave-assisted and conventional preparations of cyclic imides (2010) (23)
- Computation of ionization potential of conjugated radicals by hybrid density functional theory methods (1996) (22)
- Carbonate and carbamate derivatives of 4-demethylpenclomedine as novel anticancer agents (2009) (22)
- The utility of the PM3 method for predicting the reactivities of cyanoethenes in diels‐alder reactions with pyrrole (1994) (22)
- Surfactant assisted permanganate oxidation of aromatic compounds (1989) (22)
- Density functional theory exploring the HONO potential energy surface (1999) (21)
- The study of the isomerization of bicyclo[6.1.0]nona-3,5-diene into bicyclo-[6.1.0]nona-2,4-diene by ab initio and density functional theory (DFT) methods (1996) (21)
- A density functional theory evaluation of the ionization energies of alkanes, cycloalkanes and their unsaturated analogs (1998) (21)
- The density functional theory evaluation of the heats of formation of some aromatic compounds through the isodesmic approach (1997) (21)
- Can CH cations and nobel gases form stable chemical systems? The density functional theory and ab initio studies of the stability of CHHe+ and CHHe2+ (1998) (20)
- An accurate evaluation of activation barriers for hydrogen abstraction reactions with Becke's 88 density functional theory and high‐level G1 and G2 ab initio methods (1997) (20)
- Complete basis set and Gaussian-2 ab initio computational studies of planar Hückel and Möbius aromatic hydrogen clusters (1998) (20)
- AM1 semiempirical study of benzopyrroles as dienes for Diels-Alder reaction (1996) (20)
- Average deviation from ideal bond order as a measure for aromaticity. AMI commuted aromatic properties of five-membered C4H4X ring systems (1997) (19)
- Practical Preparation of Z‐α‐(N‐Acetylamino)‐ and Z‐α‐(N‐Benzoylamino)‐α,β‐unsaturated Acids (2007) (19)
- The computation of the potential energy surface for H2 + OH H2O + H using ab initio and density functional theory methods (1997) (19)
- Complete basis set ab initio computational study of unimolecular decomposition of dimethyl ether (1998) (19)
- Density functional theory and complete basis set ab initio evaluation of proton affinity for some selected chemical systems (1999) (18)
- A theoretical study of acetylene, ethylene, and cyclopropene additions to benzo[b]- and benzo[c]-fused heterocycles (1997) (18)
- Computational study of the CH4+ OH → CH3+ H2O reaction using ab initio and density functional theory methods (1996) (18)
- AM1 semiempirical searching for suitable thiophene derivatives that will enable thiophenes to act as a diene in the diels‐alder reactions (1995) (18)
- DENSITY FUNCTIONAL STUDY OF N-METHYLPYRROLE TRANSFORMATION INTO N-METHYLISOINDOLE THROUGH CYCLOADDITION-ELIMINATION REACTIONS (1996) (18)
- Ab initio and density functional theory studies of the gas-phase hydrogen fluoride addition to ethylene. An example of catalytic effect from a second molecule of the reagent (1998) (18)
- Complete Basis Set ab Initio Study of the CH Insertion Reaction with Water, Ammonia, and Hydrogen Fluoride (1998) (17)
- An AM1 and DFT‐AM1 computational study of methyl phenylpropiolate addition to 1‐phenyl‐3,4‐dimethylphosphole (1996) (17)
- Density Functional Theory Study of the Methylperoxy Radical Isomerization (1997) (17)
- Theoretical Study of the Reactivity and Stereoselectivity of Heterodienophile Addition to 1,3,4-Oxadiazole (1994) (17)
- Theoretical study of structural properties, infrared spectra, and energetic properties of C4H4 isomers (2000) (17)
- Preparation of substituted semicarbazides from corresponding amines and hydrazines via phenyl carbamates (2014) (17)
- HIGH LEVEL OF AB INITIO AND HYBRID DENSITY FUNCTIONAL THEORY STUDY OF ELECTRON AFFINITIES FOR SOME MULTI-SPIN DIATOMIC MOLECULES (1998) (16)
- Theoretical Study of the BH3-Catalyzed Hetero Diels-Alder Reaction between Ethylene and Nitrosoethylene (1995) (16)
- Theoretical study of thieno[3,4‐d]thiepin and furo[3,4‐d]thiepin as dienes in the diels‐alder reaction (1995) (16)
- NMR spectroscopic study of cyclodextrin inclusion complexes with A-007 prodrugs. (2008) (16)
- Study of the water–methanol dimer with gaussian and complete basis set ab initio, and density functional theory methods (1999) (16)
- Computing electron affinities of radicals with density functional theory methods (1997) (16)
- COMPUTATION OF SOME IONIZATION POTENTIALS FOR SECOND-ROW ELEMENTS BY AB INITIO AND DENSITY FUNCTIONAL THEORY METHODS (1997) (16)
- AB initio calculations of Diels–Alder transition structures for hetero-dienophile additions to cyclopentadiene (1994) (16)
- Reaction of Imidazoles with Ethylene and Singlet Oxygen. An ab Initio Theoretical Study (1995) (16)
- Preparation of 5-diaminomethylenebarbiturates by barbituric acid addition to carbodiimides (2003) (16)
- Microwave-assisted benzyl mono- and dibromination in diethyl carbonate as environmentally friendly alternative to radical bromination in carbon tetrachloride (2011) (15)
- Novel and efficient synthesis and antifungal evaluation of 2,3-functionalized cholestane and androstane derivatives. (2010) (15)
- Preparation of 5-Substituted 2-Methyl-1,3,4-oxadiazoles from 5-Substituted Tetrazoles and Acetic Anhydride (1994) (15)
- Computational study of water and ammonia dimers with density functional theory methods (1998) (15)
- Structural, energetic, and vibrational features of azacubanes as energetic materials studied with density functional theory methods (2000) (15)
- Barbituric acid initiated rearrangement of 2,2'-pyridil into 5,5'-(2-pyrilidine)bisbarbituric acid. (2002) (15)
- THE IMPORTANCE OF SECONDARY ORBITAL INTERACTIONS IN THE STABILIZATION OF ISOMERIC TRANSITION STATE STRUCTURES IN THE CYCLOPROPENE ADDITION TO FURAN (1997) (15)
- Density functional theory studies of the structures of some compounds having 12 valence electrons with a central sulfur atom (1997) (15)
- Preparation of 5-(cyclohexylmethyl)barbituric acid derivatives by acid-catalyzed reductive cyclohexylmethylation of barbituric acids with p-hydroxy or p-methoxybenzaldehydes (2002) (15)
- Cyclodextrin assisted enantiomeric recognition of benzo[de]isoquinoline-1,3-dione derived amino acids (2005) (15)
- AM1 Semiempirical study of reactivity of benzo[b]- and benzo[c]-thiophene as dienes in Diels–Alder reactions (1995) (14)
- Semiempirical and ab initio study of 1,3-dipolar addition of azide anion to organic cyanides (1994) (14)
- Preparation of N-Formamidinylamino Acids from Amino and Formamidinesulfinic Acids (2000) (14)
- High level ab initio and a hybrid density functional theory study of the bond dissociation energies and heats of formation for FOOF and FOOCl (1999) (14)
- A B3LYP hybrid density functional theory study of structural properties, energies, and heats of formation for silicon–hydrogen compounds (2000) (14)
- HIGH-LEVEL AB INITIO AND DENSITY FUNCTIONAL THEORY STUDY OF MOLECULAR COMPLEXES BETWEEN ALUMINUM CATION AND MOLECULAR NITROGEN (1998) (14)
- A comparison of the benzo[b]furan and benzo[c]furan reactivity in diels-alder reactions through an AM1 computational study (1998) (13)
- Complete basis set, the MP2 ab initio, and hybrid density functional theory evaluation of ionization potential and electron affinity for PH, PH2, PHF, PF, and PF2 (2000) (13)
- Theoretical investigation of the [1,5]-hydrogen shift in (Z)-1,3-pentadiene with a density functional theory computational approach (1998) (13)
- Leaving group rate ratios in solvolytic displacement reactions. Effect of neighboring sulfur (1987) (13)
- Density functional theory study of difluorovinylidene isomerization to difluoroacetylene (1997) (13)
- A density functional theory study of the proton abstraction from methane with triplet oxygen — an example of a very difficult computational problem (1998) (13)
- Theoretical study of the Diels–Alder reaction between the S-methylthiophenium ion and ethene (1996) (12)
- PREPARATION OF N-ACYL DERIVATIVES OF AMINO ACIDS FROM ACYL CHLORIDES AND AMINO ACIDS IN THE PRESENCE OF CATIONIC SURFACTANTS. A VARIATION OF THE SCHOTTEN-BAUMANN METHOD OF BENZOYLATION OF AMINO ACIDS (2001) (12)
- PM3 STUDY OF THE STEREOCHEMISTRY OF HETERODIENOPHILE CYCLOADDITIONS TO PYRROLE : ENDO LONE PAIR EFFECT (1995) (12)
- Theoretical studies of thermal syn elimination reaction of organic amine oxide, sulfoxide and phosphoxide by ab initio and density functional methods (1997) (12)
- Organic synthesis in micellar media. Oxidation of alcohols and their conversion into alkyl chlorides (1988) (12)
- Semiempirical and ab initio transition state calculations for the transformation of N-acetyltetrazoles into corresponding 1,3,4-oxadiazoles (1994) (12)
- An enantiomeric discrimination in aqueous mixed chiral micelles through hydrogen bonding (1993) (12)
- Structural properties and vibrational spectra of Al2H2 clusters as evaluated with density functional theory methods (1998) (12)
- Calculation of ionization energy of alkyl radicals by hybrid density functional theory methods (1998) (11)
- Ab initio study of heterodienophile addition to oxazole (1994) (11)
- 1H nmr study of hydrogen bonding of fluorinated alcohols with ethers (1985) (11)
- HIGH-LEVEL AB INITIO COMPUTATIONAL STUDY OF ACETYLENE RADICAL CATION AND ANION DECOMPOSITION PROCESS (1999) (11)
- Microwave-assisted synthesis of 1,3-benzodioxole derivatives from catechol and ketones or aldehydes (2011) (11)
- On the Mechanism of HOONO to HONO2Conversion (1997) (11)
- Complete basis set ab initio exploring potential energy surface for triplet oxygen reaction with ethylene (1999) (11)
- Simple, efficient, high yield syntheses of substituted and unsubstituted 5‐benzoylbarbituric acids, and their corresponding schiff base phenylhydrazones (2004) (11)
- Ab initio study of the low reactivity of thiophene in Diels–Alder reactions with carbon dienophiles (1995) (11)
- Comparative preclinical toxicology and pharmacology of isophosphoramide mustard, the active metabolite of ifosfamide (2005) (11)
- Decarbonylation of tetrasubstituted barbituric acids as a versatile method for preparation of N,N′,2,2-tetrasubstituted malonamides (2000) (10)
- Density functional theory computational study of the four-centered elimination CH2OH+ → CHO+ + H2 reaction (1998) (10)
- Ab initio and density functional theory studies of the potential energy surface of the LiNC → LiCN isomerization (1998) (10)
- The hydrogen abstraction from ethane with a hydrogen radical as examined with ab initio and density functional theory methods (1998) (10)
- High level ab initio and density functional theory study of bond selective dissociation of CH3SH and CH3CH2SH radical cations (1998) (10)
- The Selective Methylation of 4-Ethoxycarbonyl-3-Methylpyrazolin-5-One with Dimethyl Sulfate (1989) (10)
- Double water and double ammonia proton complexations studied with ab initio and density functional theory methods (1997) (10)
- Ab initio transition structures for hetero Diels-Alder cycloadditions to furan (1995) (10)
- Potent antimicrobial agents against azole-resistant fungi based on pyridinohydrazide and hydrazomethylpyridine structural motifs. (2015) (10)
- Preparation of Nitrogen Heterocycles of Spiro[Furo[2,3‐d]‐Pyrimidine]Pyrimidine Derivatives (2004) (10)
- Ortho Methyl Group Effects in Cumyl Systems (1995) (9)
- Exploring the potential energy surface for the H2 + H → H + H2 reaction with ab initio and density functional theory methods (1998) (9)
- Computational studies of formaldehyde dissociation and protonated carbon monoxide isomerization with density functional theory methods (1997) (9)
- High Level ab Initio and Density Functional Study of the CH + NO Reaction Product Branching (1999) (9)
- Hybrid density functional theory study of low reactivity of imidazol-2-ylidine toward insertion and addition reactions (1999) (9)
- High level ab initio study of singlet and triplet cyclopropene and diazocyclopropene carbenes stability in comparison with stability of singlet and triple cyclopropenyl cation and anion (1999) (9)
- Complete basis set, Gaussian, and hybrid density functional theory evaluation of the proton affinities of water and ammonia (1999) (9)
- High level ab initio and hybrid density functional theory method study of a molecular association between the hydrogen radical and carbon monoxide (1998) (9)
- Diels-Alder transition structures of hetero-dienophile addition to 4H-pyrazole calculated by ab initio methods (1995) (9)
- Potential energy surface for H2Si2 isomer explored with complete basis set ab initio method (1999) (8)
- Ligand free open air copper(II) mediated aryl formamidation and amination of aryl halides (2014) (8)
- Enantiomerically pure 2,2'-oxybis[N-(1-phenylethyl)acetamide]. An especially effective chiral solvating agent for determinations of enantiomer compositions by NMR spectroscopy (1992) (8)
- DENSITY FUNCTIONAL THEORY AND AB INITIO STUDY OF OXYWATER ISOMERIZATION INTO HYDROGEN PEROXIDE (1997) (8)
- Hybrid density functional theory study of hydrogen cluster aromaticity by computing their relative energies and magnetic properties (1999) (8)
- Selective bromination of the aromatic ring in ω-phenylpolyoxaalkanes and alkanols in micelles (1988) (8)
- A QUADRATIC COMPLETE BASIS SET COMPUTATIONAL STUDY OF MONO-LIGAND PHOSPHORUS CATION CLUSTERS WITH THE FIRST AND SECOND ROW ELEMENT HYDRIDES (1998) (8)
- An ab initio study of heterodienophiles addition to 2,3‐diaza‐1,3‐butadiene: An example of endo‐lone‐pair effect on the reaction energy barrier (1996) (8)
- Synthesis of N-aryl and N-arylcarbamoylamino derivatives of 1,3-diazinane-5-carboxamide and their activity against glioblastoma LN-229 cell line. (2016) (8)
- Cyclomaltooligosaccharide (cyclodextrin)-assisted enantiomeric recognition of benzo[lmn][3,8]phenanthroline-derived amino acids. (2005) (8)
- Finding, optimization, and verification of transition state structures with semi-empirical and ab-initio computational methods (1999) (8)
- High‐level ab initio computational study of doublet and quartet nitrogen reaction with methane (1999) (8)
- WHY IS TETRAZOLE NOT PRACTICAL AS A DIENE IN DIELS-ALDER REACTIONS? AN AB INITIO THEORETICAL STUDY (1995) (8)
- Anticancer properties for 4,4'-dihydroxybenzophenone-2,4-dinitrophenylhydrazone (A-007)/3,7-diaminophenothiazin-5-ium double salts. (2001) (8)
- Determining the stability of three-carbon carbocations and carbanions through computing ionization energies, electron affinities and frontier molecular orbital energy gaps for corresponding radicals, cations and anions (2000) (8)
- Density functional theory investigation of physical properties of the OCCN radical and the cation (1999) (8)
- PM3-CI calculation of Diels-Alder transition structures of hetero dienophile addition to butadiene: comparison with PM3 and ab initio generated transition structures (1994) (8)
- Determination of enantiomeric composition of 2-phenyl-2-(2-piperidyl)acetamide. A routine method for evaluation of enantiomeric purity of primary amides (1994) (7)
- Investigation of azoxides and olefins [3 + 2] cycloaddition to 1,2,3‐oxadiazolidines by a combination of density functional theory and semiempirical methods (1997) (7)
- Complete basis set and gaussian ab initio exploration of singlet and triplet potential energy surface for molecular systems built from one hydrogen, oxygen and nitrogen atoms (2000) (7)
- Exploring aromatic character of three-dimensional hydrogen cluster with the B3LYP hybrid density functional theory method (2000) (7)
- Computational studies of interstellar silicon–nitrogen molecular species (1998) (7)
- 1,3,4-oxadiazoles as dienes in Diels–Alder reactions studied with AM1 semiempirical and hybrid density functional methods. Are 1,3,4-oxadiazoles practical synthones for the preparation of valuable organic materials? (1998) (7)
- Theoretical study of the fluorine effect on the methylene insertion reaction in the hydrogen molecule, hydrogen fluoride, and the fluorine molecule (1999) (7)
- Complete basis set ab initio study of potential energy surfaces of the dissociation recombination reaction HCNH++e− (1999) (7)
- Density functional theory investigation of the Si2H2 nonclassical and tetrahedron distorted structures (1999) (7)
- Computational study of ethylene, acetylene, and cyclopropene addition to heterocycles with two heteroatoms in the 1,2 position (1998) (7)
- Complete basis set and Gaussian ab initio study of protonated isomers of borohydride anion (1999) (7)
- Dehydration of Aldoximes by Dichlorocarbene in Reverse Micelle (1989) (7)
- Computing transition state structure and estimating reaction barriers with complete basis set ab initio method (2000) (7)
- Antifungal activity of 2α,3β-functionalized steroids stereoselectively increases with the addition of oligosaccharides. (2011) (7)
- THEORETICAL STUDY OF ETHYLENE AND VINYL ALCOHOL ADDITION TO 1,4-DIOXA-1,3-BUTADIENE (1994) (7)
- AB initio study of Diels–Alder reactions of 1,3,4‐oxadiazole with ethylene, acrylonitrile, maleonitrile, fumaronitrile and 1,1‐dicyanoethylene. Inverse order and ratio of endo/exo reactivity (1994) (7)
- Synthesis and antifungal activity of functionalized 2,3-spirostane isomers. (2011) (7)
- Energetic and structural properties of silicon dicarbides calculated with complete basis set and hybrid density functional theory methods (1999) (6)
- Aromaticity of simple hydrocarbons evaluated through computing isodesmic energies, rings bond order uniformity, and HOMO–LUMO energy gaps (1999) (6)
- Complete basis set and gaussian ab initio computational study of lithium and sodium insertion reactions with hydrogen molecule (1999) (6)
- Gaussian, complete basis set, and density functional theory methods evaluation of the electron affinity for BO, B, and O (1999) (6)
- Computational study of the singlet cyclopropenyl and triplet cyclopropynyl cations aromatic stabilization with Petersson's complete basis set ab initio approach (1999) (6)
- Preparation of 5,5′-pyrilidene and 5,5′-quinolidene bis-barbituric acid derivatives (2003) (6)
- Complete basis set and gaussian computational study of bond dissociation energies, enthalpy of formation and rearrangement barriers for the XNO nitric oxide derivatives (1999) (6)
- Theoretical investigation of suitability of pyrrole as diene for Diels–Alder reaction (1998) (6)
- Complete basis set and gaussian computational study of dissociative recombination process of the cyanogen ion (CN (2000) (6)
- Neighboring sulfur participation in the solvolysis of 2-(ω-alkylthioalkyl)-3-methyl-2-cyclohexenyl p-nitrobenzoates (1986) (6)
- Hydrogen radical and hydroxyl radical hydrogen abstraction reaction from formyl fluoride studied with hybrid density functional theory methods (1998) (6)
- N-Acyltetrazole as an Intermediate for Preparation of Carboxylic Acid Derivatives (1993) (6)
- Reactivity–selectivity principle in substituted cyclobutene ring opening computed with density functional theory methods (1998) (5)
- Hybrid density functional theory method study of the lowest potential energy surface for the O(3P)+HCl(χ1Σ+)↦OH(χ2Π)+Cl(2P) reaction (1998) (5)
- Theoretical study of the atomization energy and geometry of sulfur dioxide and sulfur monoxide (1999) (5)
- Ab initio study of the 1,3-cycloaddition of methyl azide to fluorinated acetonitriles (1995) (5)
- Molecular mechanics calculations and comparison of proton, fluorine, and carbon NMR diastereomer discrimination via nonbonding interactions between fluorine-labeled enantiomeric amides and enantiomerically pure chiral solvating agents (1993) (5)
- The ionization potential and electron affinity of PF and PF2 (1999) (5)
- Structures and properties of nitrogen derivatives of tetrahedrane (2001) (5)
- Complete Basis Set ab Initio Computational Exploration of the Lowest Energy, Unimolecular, Triplet Potential Energy Surface for Triplet Oxygen Atom Assisted Acetylene Rearrangement into Vinylidene (1999) (5)
- Preparation of 5,5′-Pyrilidene and 5,5′-Quinolidene Bis-barbituric Acid Derivatives. (2003) (5)
- Exploring the lowest energy triplet potential energy surface for cyclic C4H4 isomers with the complete basis set ab initio method. Is the transformation of triafulvene into cyclobutadiene possible in their excited states (1999) (4)
- Solvolysis of 2-(2-methoxyethyl)-3-methyl-2-cyclohexenyl p-nitrobenzoate. A case of non-participation of methoxy group (1986) (4)
- Preference in formation of three-, five-, and six-membered rings in cyclization of the primary unsaturated radical studied with the hybrid density functional theory method (1999) (4)
- Complete basis set, gaussian and density functional theory study of molecular aggregates of beryllium hydride and boron hydride as a chain terminated in the polymerization of beryllium hydride (1999) (4)
- The potential energy surface for the oxywater radical cation transformation to hydrogen peroxide radical cation studied by density functional theory and ab initio methods. Are hybrid density functional methods as accurate as coupled-cluster ab initio methods? (1997) (4)
- HIGH LEVEL OF AB INITIO AND DENSITY FUNCTIONAL THEORY EVALUATION OF THE C-O BOND DISSOCIATION ENERGIES IN THE DIMETHYL ETHER ANION (1999) (4)
- Computational investigation of the suitability of heterocyclic aromatic compounds with two heteroatoms in the 1 and 3 ring positions as dienes for the diels alder reaction (1998) (4)
- Theoretical investigation of structures and energies of the protonated methane radical cation and ethane (2000) (4)
- Density functional theory study of multiprotonated BH5 (2000) (4)
- Cyclomaltooligosaccharide-assisted spectroscopic discrimination of phthalimido-derived amino acids through the formation of molecular aggregates. (2006) (4)
- Density functional theory and complete basis set ab initio computational study of the molecular interaction between the magnesium atom and nitrogen oxide cation: is the nitrogen oxide cation responsible for higher magnesium cation/atom ratio in the Earth's upper atmosphere? (2000) (4)
- 1H NMR study of mixed and inverse micelles: Solven effects on chemical shifts of aromatic and heterocyclic protons in some N-methylnicotinyl and N-methylisonicotinyl esters (1988) (4)
- Complete basis set, G1, G2, G2MP2, and density functional theory computational studies of the lowest energy triplet potential energy surface for acetylene–vinylidene rearrangement (2000) (4)
- Cycloaddition reactions involving heterocyclic compounds as synthons in the preparation of valuable organic compounds. An effective combination of a computational study and synthetic applications of heterocycle transformations (1998) (4)
- Preparation of unsubstituted dipyridine‐dibarbituric acid ylide through dimerization of pyridin‐2‐ylmethylenepyrimidinetrione as a reactive intermediate (2003) (4)
- Computational study of organized cycloaddition reactions with pyrrole moiety as a diene (1999) (4)
- Complete basis set ab initio computational study of triplet oxygen atom reaction with ethane (2000) (4)
- Transition metal free reductive dimerization of nitrogen containing barbituric acid benzylidenes (2003) (4)
- Ab initio and density functional theory study of the cyanide radical hydrogen abstraction from hydrogen molecules (1998) (4)
- High level of ab initio and density functional theory computational study of structural and energetic properties of tetrafluorhydrazine rotamers (1998) (4)
- Preparation of Substituted Semicarbazides from Corresponding Amines and Hydrazines via Phenyl Carbamates. (2014) (4)
- Density functional theory and quadratic complete basis set ab initio studies of the HNSi to HSiN isomerization and hydrogen insertion reactions with further isomerizations of the insertion products (1999) (4)
- The inertia principle and implementation in the cycloaddition reaction with aromatic heterocycles performed with AM1 semiempirical and density functional theory study (1999) (4)
- Complete basis set investigation of the formation of the magnesium cation through magnesium atom interactions with molecular oxygen cation in gas phase (2000) (4)
- Complete basis set ab initio computational study of three-dimensional aromaticity in highly symmetric hydrogen clusters (1999) (3)
- Spectroscopic and molecular mechanics calculations of discrimination between enantiomers possessing an electron rich aromatic group directly attached to the chiral carbon atom with optically pure benzoyl derivatives (1994) (3)
- PM3 calculations of Diels-Alder reactions of “pull-push” activated isoprenes with aceto- and acrylonitrile (1994) (3)
- Ab initio study of [2,3] sigmatropic rearrangement of allylic nitroxides and sulfoxides (1995) (3)
- Dissociation and chain reaction in the pyrolysis of pyraine (1996) (3)
- Complete basis set, Gaussian, and density functional theory study of the vinylidine–acetylene rearrangement (1999) (3)
- Exploring anticancer activity of structurally modified benzylphenoxyacetamide (BPA); I: Synthesis strategies and computational analyses of substituted BPA variants with high anti-glioblastoma potential (2019) (3)
- Preparation of Unsubstituted Dipyridine-Dibarbituric Acid Ylide Through Dimerization of Pyridin-2-ylmethylenepyrimidinetrione as a Reactive Intermediate. (2003) (3)
- Anticancer potential of aminomethylidene-diazinanes I. Synthesis of arylaminomethylidene of diazinetriones and its cytotoxic effects tested in glioblastoma cells. (2017) (3)
- Governing organic reactions through secondary orbital interactions. Semiempirical and density functional theory study of catalyzed cycloaddition reactions between pyrrole and ether dienophiles (1999) (3)
- Electrospray-ionization mass spectrometry study of cyclodextrin complexes with A007 prodrugs. (2009) (3)
- Exploring reaction outcomes through the reactivity-selectivity principle estimated by density functional theory studies (1998) (3)
- On the mechanism of HOONO to HONO2 conversion. (1997) (3)
- Preparation of 5‐Formyl‐ and 5‐Acetylbarbituric Acids. Including the Corresponding Schiff Bases and Phenylhydrazones. (2002) (3)
- A COMPARISON OF 3,3-DIMETHYL-1-PHOSPHABUTYNE AND 3,3-DIMETHYLBUTYNE AS DIENOPHILES FOR DIELS-ALDER REACTION. AN AM1 SEMIEMPIRICAL STUDY (1995) (3)
- High level ab initio and density functional theory study of bond dissociation energy and enthalpy of formation for hypochloric and hypobromic acids (1999) (3)
- Microwave-Assisted NBS Bromination of p-Iminotoluenes: Preparation of New Alcohol, Mercapto, and Amino Protection Groups (2011) (3)
- Mono C‐Alkylation and Mono C‐Benzylation of Barbituric Acids Through Zinc/Acid Reduction of Acyl, Benzylidene, and Alkylidene Barbiturate Intermediates. (2003) (3)
- AM1 COMPUTATIONAL STUDY OF CYCLOADDITION REACTION OF VINYL SULFENE GENERATED FROM THIETE 1,1-DIOXIDE (1997) (3)
- Transition Metal Free Reductive Dimerization of Nitrogen Containing Barbituric Acid Benzylidenes. (2004) (2)
- PP 57 Interaction of 4-demethyl-4-cholesteryloxycarbonylpenclomedine (DM-CHOC-PEN) with melanoma melanin metabolism and cell death (2011) (2)
- Solvolysis of 3-alkenyl-2-cyclohexenyl estrs (1988) (2)
- Exploring the ground-state singlet potential energy surface for the H2CCH2→H2CC+H2 reaction with one and three parameter hybrid density functional theory, gaussian, and complete basis set ab initio methods (2001) (2)
- Microwave‐Assisted Benzyl Mono‐ and Dibromination in Diethyl Carbonate as Environmentally Friendly Alternative to Radical Bromination in Carbon Tetrachloride. (2011) (2)
- The theoretical study of a borane catalyzed azide anion addition to fluorinated acetonitriles (1997) (2)
- Theoretical study of azide anion addition to nonpolar and polar double and triple bonds (1995) (2)
- An Efficient Regioselective NBS Aromatic Bromination in the Presence of an Ionic Liquid. (2010) (2)
- Corrigendum to "Potential energy surface for H2Si2 isomers explored with complete basis set ab initio method" [J. Mol. Struct. (Theochem) 459 (1999) 221–228] (2001) (2)
- The Estimation of the Aromaticity of Five‐Membered and Benzo‐Fused Five‐Membered Rings by the Hybrid DFT Computed Magnetic Properties (1997) (2)
- Abstract B219: 4-Demethyl-4-cholesteryloxycarbonylpenclomedine (DM-CHOC-PEN) and 4-hydroperoxyifosfamide (HOOI) as binary therapy for melanoma. (2011) (2)
- Comparison of Microwave-Assisted and Conventional Preparations of Cyclic Imides. (2010) (2)
- Density Functional Theory and Complete Basis Set Ab Initio Computational Study of Five-, Six-, Seven- and Eight-hydrogen Coordinated Carbon Cations (1999) (2)
- A search for maximal neighboring group participation in Solvolyses of allylic substrates. Ethanolysis of 2-(ω-alkylthioalkyl)-3-methyl-2-cyclohexenyl p-nitrobenzoates (1993) (2)
- A New Facile Method for Preparation of Heterocyclic α-Iminonitriles and α-Oxoacetic from Heterocyclic Aldehydes, p-Aminophenol, and Sodium Cyanide. (2002) (2)
- Solvolysis of 2-(ω-alkoxyalkyl)-3-methyl-2-cyclohexenyl p-nitrobenzoates : Search for neighboring oxygen participation (1987) (2)
- Anti-glioblastoma effects of phenolic variants of benzoylphenoxyacetamide (BPA) with high potential for blood brain barrier penetration (2022) (2)
- A Simple Preparation of Amides (III) from Acids (I) and Amines (II) by Heating of Their Mixture. (1994) (1)
- Design, synthesis, and spectroscopic analysis of potential anti-cancer compounds exhibiting immune modulating properties (2003) (1)
- Simple, Efficient, High Yield Syntheses of Substituted and Unsubstituted 5‐Benzoylbarbituric Acids, and Their Corresponding Schiff Base Phenylhydrazones. (2004) (1)
- Hydrogen-bonding interactions of monosubstituted benzenes with fluoroalkanols and fluoroalkyl ethers (1986) (1)
- Catalysis by surfactants of nucleophilic displacement reactions of primary alkyl halides with solid-phase nucleophile salts (1989) (1)
- Derived 4H-pyrazole as a reactive intermediate in the transformation of cyclic malonic hydrazide into 1,5-dichloro-1,4-cyclohexadiene through a Diels–Alder reaction with substituted cyclopropenes. AM1 semiempirical and B3LYP density functional theory studies of the cycloaddition reaction of one pyra (1998) (1)
- Calculations of boron trifluoride catalyzed 1,3-dipolar additions of azide ion to organic nitriles (1995) (1)
- One- and three-parameter density functional theory and high level ab initio theory study of the CH+CH disproportionation reaction (2000) (1)
- Reductive C‐Alkylation of Barbituric Acid Derivatives with Carbonyl Compounds in the Presence of Platinum and Palladium Catalysts. (2010) (1)
- Response to Comment on "High-Level ab Initio and Density Functional Study of the CH + NO Reaction Product Branching" (2000) (1)
- Highlevel ab initio and hybrid density functional theory study of the energy profile for the 1 CO+ 2 CO + reaction (2001) (1)
- Sigmatropic rearrangement of sulfur and nitrogen allylic ylides studied by ab initio methods (1995) (1)
- Preparation of N‐Formamidinylamino Acids from Amino and Formamidinesulfinic Acid (2001) (1)
- A Simple Method for Knoevenagel Condensation of α,β-Conjugated and Aromatic Aldehydes with Barbituric Acid. (2001) (1)
- Preparation of 5-(Cyclohexylmethyl)barbituric Acid Derivatives by Acid-Catalyzed Reductive Cyclohexylmethylation of Barbituric Acids with p-Hydroxy or p-Methoxybenzaldehydes. (2002) (1)
- Preparation of tagged glucose as a key intermediate in the synthesis of branched oligosaccharides (2011) (1)
- Preparation of Tetrazoles from Organic Nitriles and Sodium Azide in Micellar Media. (1998) (0)
- Cocaine Enhances the Discriminative Stimulus Effects of Mephedrone (2018) (0)
- Reactivity vs. Ring Size in Solvolysis of ω-(Benzylthio)alkyl and ω-(Benzyloxy)alkyl Substrates as Model Systems for n Participation of Sulfur and Oxygen. (1989) (0)
- N-Acyltetrazole as an Intermediate for Preparation of Carboxylic Acid Derivatives. (1993) (0)
- Selective Reduction of Cyclohexanones with NaBH4 in β-Cyclodextrin, PEG-400, and Micelles (2008) (0)
- Organic Synthesis in Micellar Media. Oxidation of Alcohols and Their Conversion into Alkyl Chlorides. (1989) (0)
- Preparation of 5-Diaminomethylenebarbiturates by Barbituric Acid Addition to Carbodiimides. (2003) (0)
- Abstract A098: Support for 4-demethyl-4-cholesteryloxycarbonylpenclomedine (DM-CHOC-PEN) as a magnetic field effort sensitizer in NSCLC (2019) (0)
- New efficient, terminal differentiation-inducing agents, and methods for their use (1994) (0)
- PM3 Calculations of Diels-Alder Reactions of “Pull-Push” Activated Isoprenes with Aceto- and Acrylonitrile. (1995) (0)
- Graphical contents list (2011) (0)
- Abstract A264: Response of CNS melanoma to 4-demethyl-4-cholestrylcarbonylpenclomedine (DM-CHOC-PEN) and cell death. (2013) (0)
- AB INITIO STUDY OF PROTON TRANSFER BETWEEN METHANE AND THE AMIDE ANION IN THE GAS PHASE (1995) (0)
- Micellar-catalyzed oxidation of primary amines by sodium hypochlorite (1988) (0)
- Computational Study of Ethylene, Acetylene, and Cyclopropene. Addition to Heterocycles with Two Heteroatoms in the 1,2 Position. (1998) (0)
- Leaving Group Rate Ratios in Solvolytic Displacement Reactions. The Effect of Neighboring Sulfur. (1987) (0)
- Decarbonylation of Tetrasubstituted Barbituric Acids as a Versatile Method for Preparation of N,N′,2,2-Tetrasubstituted Malonamides. (2000) (0)
- The Selective Methylation of 4-Ethoxycarbonyl-3-methylpyrazolin-5-one with Dimethyl Sulfate. (1990) (0)
- 64 POSTER Neurobehavioral properties of penclomedine (PEN) and derivatives (2008) (0)
- Exploring Reaction Outcomes Through the Reactivity—Selectivity Principle Estimated by Density Functional Theory Studies (1998) (0)
- Preparation of nitriles by cyanide displacement on primary alkyl halides in reversed micelles (1988) (0)
- Abstract 4479: Preclinical toxicology and pharmacology for BACPTDP, a camptothecin that targets hypoxic/acidic tumors. (2013) (0)
- Comparison of the Reactivity of Thiophene, Thiophene 1-Oxide, and Thiophene 1,1-Dioxide as Diene for Diels-Alder Reactions. An AM1 Semiempirical Study. (1996) (0)
- Density functional Gaussian-type-orbital approach to theoretical study of nitric oxide dimers (1994) (0)
- A Raman spectroscopic study of the orientation of ω-phenylpolyoxa-alkanoles in micellar solutions of sodium dodecyl sulphate (1988) (0)
- Seven- and Eight-hydrogen Coordinated Carbon Cationst (2019) (0)
- Microwave-Assisted Synthesis of 1,3-Benzodioxole Derivatives from Catechol and Ketones or Aldehydes. (2011) (0)
- Preparation of 5‐Substituted 2‐Methyl‐1,3,4‐oxadiazoles from 5‐ Substituted Tetrazoles and Acetic Anhydride. (1994) (0)
- Complete basis set and ab initio computational study of hydronium ion addition to ethylene as an example of acid interactions with unsaturated hydrocarbons (1999) (0)
- The influence of hydrogen bonding on the solvolytic reactivity of nicotinates in fluorinated alcohols (1987) (0)
- Abstract 3222: Pre-clinical toxicology and pharmacology of 4-hydroperoxyifosfamide (4-HOOI) and L-lysine salt (2011) (0)
- Comparative Anticancer Activity in Human Tumor Xenograft Models, Preclinical Pharmacology and Toxicology for 4- Hydroperoxyifosfamide (HOOI): A Potential Neuro-Alkylating Agent for Primary and Metastatic Cancers Involving the Central Nervous System (2017) (0)
- Chemotherapy associated memory/learning loss and reversal with supplemental amino acids in a rat model (2009) (0)
- Theoretical Study of Thieno(3,4‐d)thiepin and Furo(3,4‐d)thiepin as Dienes in the Diels‐Alder Reaction. (1996) (0)
- Selective reduction of conjugated aldehydes and ketones with sodium borohydride in micelles (1988) (0)
- Synthetic Application of Micellar Catalysis. Williamson′s Synthesis of Ethers. (1989) (0)
- Abstract 2137: Glioblastoma mitochondrial respiration as a target for a new class of metabolic compounds capable of crossing the blood brain barrier (2022) (0)
- Anticancer Properties for 4,4′-Dihydroxybenzophenone-2,4-dinitrophenylhydrazone (A-007)/3,7-Diaminophenothiazin-5-ium Double Salts. (2001) (0)
- An AM1 and DFT-AM1 Computational Study of Methyl Phenylpropiolate Addition to 1-Phenyl-3,4-dimethylphosphole. (1997) (0)
- The Hydrogenolysis of Organic Halides (I) with Zinc Dust in Micelle. (1990) (0)
- A Search for Maximal Neighboring Group Participation in Solvolyses of Allylic Substrates. Ethanolysis of 2-(ω-Alkylthioalkyl)-3-methyl- 2-cyclohexenyl p-Nitrobenzoates (1993) (0)
- Neighboring Sulfur Participation in the Solvolysis of 2-(ω-Alkylthioalkyl)-3-methyl- 2-cyclohexenyl p-Nitrobenzoates. (1986) (0)
- Preparation of 5-Alkylthio- and 5-Arylthiotetrazoles from Thiocyanates Using Phase Transfer Catalysis. (1998) (0)
- Preparation of N-Acyl Derivatives of Amino Acids from Acyl Chlorides and Amino Acids in the Presence of Cationic Surfactants. A Variation of the Schotten—Baumann Method of Benzoylation of Amino Acids. (2001) (0)
- Anti-glioblastoma Effects of Structural Variants of Benzoylphenoxyacetamide (BPA): II. Synthesis Strategies for Phenolic Variants of BPAs With Potential for Blood Brain Barrier Penetration. (2021) (0)
- Surfactant-Assisted Permanganate Oxidation of Aromatic Compounds. (1990) (0)
- An ab initio study of heterodienophiles addition to 2, 3-diaza-1, 3-butadiene: An example of endo-lone-pair effect on the reaction energy barrier (1996) (0)
- Investigation of Azoxides and Olefins [3 + 2] Cycloaddition to 1,2,3‐Oxadiazolidines by a Combination of Density Functional Theory and Semiempirical Methods. (1998) (0)
- High level ab initio and density functional theory study of bond selective dissociation of CH 3 SH and CH 3 CH 2 SH radical cations (0)
- Practical Preparation of Z-α-(N-Acetylamino)- and Z-α-(N-Benzoylamino)-α,β-unsaturated Acids. (2007) (0)
- A Theoretical Study of Acetylene, Ethylene, and Cyclopropene Additions to Benzo[b]- and Benzo[c]-fused Heterocycles. (1998) (0)
- Isophosphoramide mustard-lysine (IPM-L; ZIO-201): A new alkylator for bone marrow transplants (2006) (0)
- New potent inducers of terminal differentiation and methods for their use (1990) (0)
- Cleavage of ethers with aqueous hydrochloric acid in the presence of surfactants (1990) (0)
- Preparation of Nitrogen Heterocycles of Spiro[furo[2,3‐d]‐pyrimidine]pyrimidine Derivatives. (2005) (0)
- Dehydration of Aldoximes by Dichlorocarbene in Reverse Micelle. (1989) (0)
- Anticancer activities of carbonate and carbamate derivatives of 4-demethylpenclomedine (2007) (0)
- Microwave-Assisted NBS Bromination of p-Iminotoluenes: Preparation of New Alcohol, Mercapto, and Amino Protection Groups. (2012) (0)
- Preclinical Activity of 4-Demethyl-4-cholesteryloxycarbonylpenclomedine in Melanoma (2023) (0)
- The complete basis set and gaussian ab initio computational investigation mono-, di- and tri-protonated borane and mono-, di-, tri-, and tetra-protonated diborane structures and energies (1999) (0)
- Density functional Gaussian-type orbital approach in theoretical study of S2F2 isomerization (1996) (0)
- Computational Investigation of the Suitability of Heterocyclic Aromatic Compounds with Two Heteroatoms in the 1 and 3 Ring Positions as Dienes for the Diels—Alder Reaction. (1999) (0)
- Ligand Free Open Air Copper(II) Mediated Aryl Formamidation and Amination of Aryl Halides. (2014) (0)
- The Utility of the PM3 Method for Predicting the Reactivities of Cyanoethenes in Diels‐Alder Reactions with Pyrrole. (1995) (0)
- Computational modeling and synthesis of Pyridine variants of Benzoyl-Phenoxy-Acetamide with high glioblastoma cytotoxicity and brain tumor penetration (2023) (0)
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What Schools Are Affiliated With Branko S. Jursic?
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