Steven Bachrach
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Steven Bachrachchemistry Degrees
Chemistry
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Computational Chemistry
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Organic Chemistry
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Chemistry
Steven Bachrach's Degrees
- PhD Chemistry University of California, Berkeley
- Bachelors Chemistry University of California, Berkeley
Why Is Steven Bachrach Influential?
(Suggest an Edit or Addition)According to Wikipedia, Steven M. Bachrach is an organic chemist who took up the position of Dean of Science at Monmouth University in 2016. Bachrach had previously been the Dr D. R. Semmes Distinguished Professor of Chemistry at Trinity University in San Antonio, Texas. Bachrach is the author of the textbook Computational Organic Chemistry.
Steven Bachrach's Published Works
Number of citations in a given year to any of this author's works
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
- Some methods and applications of electron density distribution analysis (1987) (134)
- Microsolvation of glycine: a DFT study. (2008) (115)
- The gem-dimethyl effect revisited. (2008) (91)
- Who Should Own Scientific Papers? (1998) (90)
- Bond paths and bond properties of carbon-lithium bonds (1987) (80)
- Nucleophilic attack at selenium in diselenides and selenosulfides. A computational study (2004) (75)
- Computational Organic Chemistry: Bachrach/Computational Organic Chemistry (2014) (65)
- Application of an approximate double substitution coupled cluster (ACCD) method to the potential curves of CO and NeHe: Higher order correlation effects in chemically and weakly bonded molecules (1981) (63)
- Population Analysis and Electron Densities from Quantum Mechanics (2007) (59)
- Theoretical studies of phosphirane and phosphetane (1989) (55)
- DFT study of cycloparaphenylenes and heteroatom-substituted nanohoops. (2010) (54)
- Conformational equilibria in butane-1,4-diol: a benchmark of a prototypical system with strong intramolecular H-bonds. (2014) (54)
- DFT study of [2.2]-, [3.3]-, and [4.4]paracyclophanes: strain energy, conformations, and rotational barriers. (2011) (51)
- Theoretical studies of the [1,5] sigmatropic hydrogen shift in cyclopentadiene, pyrrole, and phosphole (1993) (51)
- Diels-Alder reactions of aza- and phospha-1,3-butadienes with ethylene. An ab initio study (1992) (46)
- The group equivalent reaction: An improved method for determining ring strain energy (1990) (43)
- Electron density superposition errors in ethynyllithium (1984) (40)
- Microsolvation of cysteine: a density functional theory study. (2009) (39)
- Using the pyridine and quinuclidine scaffolds for superbases: a DFT study. (2010) (35)
- Topological electron density analysis of phosphines, phosphaalkenes and phosphaalkynes (1989) (33)
- DFT study of the ExBox·aromatic hydrocarbon host-guest complex. (2013) (32)
- Nucleophilic Substitution at Sulfur: S N 2 or Addition-Elimination? (1996) (32)
- Aromaticity of annulated benzene, pyridine and phosphabenzene (2002) (32)
- Effect of Micro and Bulk Solvation on the Mechanism of Nucleophilic Substitution at Sulfur in Disulfides (2003) (31)
- Structural basis of the impact sensitivities of 1-picryl-1,2,3-triazole, 2-picryl-1,2,3-triazole, 4-nitro-1-picryl-1,2,3-triazole, and 4-nitro-2-picryl-1,2,3-triazole (1989) (31)
- Alkali Metal Salts of Dianions: A Theoretical and Experimental Study of (C6H4)2-M+ (M = Li and Na) (1998) (31)
- Effect of ring strain on the thiolate-disulfide exchange. A computational study. (2002) (31)
- The reaction of cyclopentyne with ethene: concerted vs stepwise mechanism? (2004) (30)
- Ab initio study of the reaction of silene with formaldehyde (1985) (30)
- DFT study of the cycloaddition reactions of strained alkynes. (2001) (29)
- STRUCTURE AND BONDING IN DILITHIOMETHANE (1984) (27)
- Amine superbases stabilized by extended hydrogen bond networks. (2013) (26)
- Ab initio study of the conrotatory ring opening of phospha- and azacyclobutenes. 2. Diphospha- and diazacyclobutenes (1992) (26)
- Ring strain energy and inversion barrier of phospha[3]radialene and aza[3]radialene (1993) (25)
- Tetraphenylene ring flip revisited. (2009) (24)
- Molecular structure of phosphonium ylides (1992) (24)
- Rotational energy surfaces of aza- and phospha-1,3-butadienes. A theoretical study (1991) (21)
- Extended hydrogen bond network enabled superbases. (2012) (21)
- Ab Initio Study of the Diels-Alder Reaction between Phospholes and Ethyne (1994) (21)
- Computational studies of ethynyl- and diethynyl-expanded tetrahedranes, prismanes, cubanes, and adamantanes. (2006) (21)
- Selective Nucleophilic Attack of Trisulfides. An ab Initio Study (1996) (21)
- AB INITIO STUDIES OF THE DIMERIZATION OF KETENE AND PHOSPHAKETENE (1994) (20)
- Electron density analysis of the reaction of aldehydes with lithium hydride. The general importance of the HOMO-HOMO interaction (1986) (19)
- Microsolvation of uracil and its conjugate bases: a DFT study of the role of solvation on acidity. (2011) (19)
- Effect of ring strain on nucleophilic substitution at selenium: a computational study of cyclic diselenides and selenenyl sulfides. (2007) (19)
- Theoretical study of nucleophilic substitution at the disulfide bridge of cyclo-l-cystine. (2003) (18)
- STRUCTURE AND INVERSION BARRIER OF PHOSPHIRENE AND 1,2-DIHYDROPHOSPHETE. AN AB INITIO STUDY (1991) (18)
- Structures and relative energies of polylithiated benzenes. (2002) (18)
- Carbon acidity. 77. Ion pair carbon acidities of some silanes in tetrahydrofuran (1993) (17)
- Density functional theory gas- and solution-phase study of nucleophilic substitution at di- and trisulfides (2002) (17)
- Towards assessing the aromaticity of the Diels–Alder transition state (2007) (15)
- Computational Studies of [2+2] and [4+2] Pericyclic Reactions between Phosphinoboranes and Alkenes. Steric and Electronic Effects in Identifying a Reactive Phosphinoborane that Should Avoid Dimerization (2007) (15)
- Cycloaddition Reactions between Cyclopentadiene and Ketene. Ab Initio Examination of [2 + 2] and [4 + 2] Pathways (1996) (15)
- Mechanism of thiolate-disulfide exchange: addition-elimination or effectively S(N)2? Effect of a shallow intermediate in gas-phase direct dynamics simulations. (2012) (15)
- Structure, Deprotonation Energy, and Cation Affinity of an Ethynyl-Expanded Cubane (2003) (15)
- "Planetary Orbit" Systems Composed of Cycloparaphenylenes. (2016) (15)
- Structure, topological electron density analysis and aromaticity of 4‐heterosubstituted methylenecyclopropenes: X XCH2, NH, O, SiH2, PH and S (1991) (15)
- Theoretical study of nucleophilic substitution at two-coordinate sulfur. (2001) (14)
- Challenges in computational organic chemistry (2014) (14)
- Chemistry publication – making the revolution (2009) (14)
- Competing elimination and substitution reactions of simple acyclic disulfides. (2005) (14)
- Comparison of the calculated acidity of cubane with that of other strained and unstrained hydrocarbons (1990) (14)
- Theoretical Study of the Diels-Alder Reaction of Selenoaldehydes and Selenoketones. (1999) (14)
- Diels-Alder Reaction of Furan with Cyclopropenone. An ab Initio Study (1995) (13)
- Addition of Protonated Water to SO3 (1999) (12)
- Application of various population methods to some oxygenated compounds (1989) (12)
- Unusual pK's and bond paths of 1,3-dilithiocyclobutane (1986) (12)
- All-carbon, neutral analogue of ExBox4+: A DFT study of polycyclic aromatic hydrocarbon binding. (2014) (12)
- Amide coordination effects in organolithiums (1989) (12)
- Topological electron density analysis of halogen-substituted phosphirenes (1992) (11)
- Relative Energies of Methyl- and Vinylphospholes (1994) (10)
- THE DIELS-ALDER REACTION OF 1,3,5-TRIPHOSPHABENZENE WITH PHOSPHAACETYLENE (1996) (10)
- [1,3]-Sigmatropic rearrangement of 1,3,5-triphosphabicyclo[2.1.0]pent-2-ene (1995) (10)
- The Gas-Phase Basicity of Sulfuric Acid (1998) (10)
- Nucleophilic substitution at oxygen: the reaction of phosphine and ammonia with ammonia oxide. An ab initio investigation (1990) (9)
- Chiral Superbases with Extended Hydrogen Bond Networks. (2019) (9)
- Ab Initio Study of the Thio-Ene Reaction. 1. The Enophile Substituent Effect. (1997) (9)
- The Internet Journal of Chemistry: A Case Study of an Electronic Chemistry Journal (2000) (9)
- The Internet : a guide for chemists (1996) (9)
- Theoretical studies of nucleophilic substitution at phosphorus. Phosphine + hydride .fwdarw. H- + PH3 (1993) (9)
- Ring strain energy of tetraphosphacubane. An ab initio study. (1993) (8)
- Ab initio investigation of the diels‐alder reaction between 2H‐phosphole and phosphaethene: A model for phosphole dimerization (1997) (8)
- End-User Customized Chemistry Journal Articles (1999) (8)
- InChI: a user’s perspective (2012) (8)
- Cycloaddition reactions between 2 H-phosphole and phosphaketene: Ab initio examination of [2 + 2] and [4 + 2] pathways (1997) (8)
- Theoretical study of nucleophilic substitution at sulfur in sulfinyl derivatives. (2005) (8)
- Microsolvation of 1,4-butanediol: the competition between intra- and intermolecular hydrogen bonding. (2014) (8)
- The Journals Crisis: Redirecting the Blame (2001) (8)
- On the destabilization (strain) energy of biphenylene. (2008) (7)
- Deprotonation of lithiated benzenes. (2004) (7)
- The resonance energy of methylenecyclopropene and cyclopropenone (1990) (7)
- Potential Energy Surface of SCl3 (2000) (7)
- Comprar Computational Organic Chemistry | Steven M. Bachrach | 9780471713425 | Wiley (2007) (7)
- TOPOLOGICAL ELECTRON DENSITY ANALYSIS OF ORGANOSULFUR COMPOUNDS (1995) (7)
- Planar rings in nano-Saturns and related complexes. (2019) (7)
- Designing a "Flatter" ExBox(4+) Analogue. (2015) (7)
- Proton affinity of SO3 (1999) (6)
- Ab initio calculations on the diazirinyl anion. A nonaromatic species (1991) (6)
- 1,6-DIPHOSPHA-1,5-HEXADIENE AND THE PHOSPHA-COPE REARRANGEMENT : AN AB INITIO INVESTIGATION (1995) (6)
- Hydrogen Shifts in Formyl- and Diformylphosphine (1995) (6)
- Ring strain energies of tetraphospha- and tetraarsacubanes (1998) (5)
- Structure of all-trans-1,6-diphenyl- (A) and all-trans-1,6-bis(o-methoxyphenyl)-1,3,5-hexatriene (B) (1989) (5)
- Bonding, Structures and Energies in Organolithium Compounds (1998) (5)
- PREPARATION OF 1,3-DIPHOSHAALLENE FROM 1,2-DIPHOSPHACYCLOPROPANES: A THEORETICAL INVESTIGATION (1990) (4)
- Conformations and relative energies of tetrahydropyridines (1992) (4)
- SPARC: The view from the faculty (2001) (4)
- Diels−Alder Reaction of an Ene−Phospha−Yne (1997) (4)
- The crystal structure of UO2Cl2(OH2)(MeCN)2·2MeCN (1989) (4)
- Jaguar 5.5 Schrödinger, Inc., 1500 SW First Avenue, Suite 1180, Portland, OR 97201. www.schrodinger.com. See Web site for pricing information. (2004) (4)
- Quantum Mechanics for Organic Chemistry (2014) (4)
- Integration of chemical data using XML (2002) (4)
- Electronic Conferencing on the Internet: The First Electronic Computational Chemistry Conference (1995) (4)
- Diradicals and Carbenes (2014) (3)
- Tetrasubstituted bisadamantylidenes—Highly twisted alkenes (2018) (3)
- Cycloparaphenylene Lemniscates and Trefoils. (2019) (3)
- Cyclooctatetraenophanes: A Computational Study. (2015) (3)
- Theoretical exammation of the Diels–Alder reaction of 1,3-butadiene with cyclopentadiene and 2H-phosphole (1996) (3)
- Chemistry on the Internet: The Northern Illinois University Chemistry WWW/Gopher Site (1995) (3)
- The quest for a triplet ground‐state alkene: Highly twisted C═C double bonds (2019) (2)
- REMARKABLE DEPROTONATION ENERGIES OF TETRAPHOSPHACUBANES (1998) (2)
- Making the Revolution (2019) (2)
- Organic Reactions of Anions (2014) (2)
- Rotational Energy Surfaces of Aza‐ and Phospha‐1,3‐butadienes. A Theoretical Study (1992) (1)
- MOLECULAR MODELS FOR EXPLOSIVES (1987) (1)
- Ab initio study of the Diels–Alder reactions of prop-2-enethial (1998) (1)
- Tying It All Together: Information Management for Practicing Chemists (2014) (1)
- Computational Methods in Photochemistry. Molecular and Supramolecular Photochemistry, Volume 13 Edited by Andrei G. Kutateladze (University of Denver). CRC Press (an imprint of Taylor and Francis Group): Boca Raton, 2005. x + 518 pp. $179.96. ISBN 0-8247-5345-3. (2006) (1)
- Potential Energy Surface of SOCl3 (2001) (1)
- 1,3-Diphosphabicyclo[1.1.1]pentane dication: theoretical evidence for an inverted phosphorus atom (1990) (1)
- AMPAC 6.6 with AMPAC 6.0 Graphic Interface Semichem, Inc., P.O. Box 1649, Shawnee Mission, KS 66222. http://www. semichem.com. List price: $11,000. Educational price: $900 (2000) (1)
- Selective Nucleophilic Attack of Trisulfides. An ab initio Study. (1997) (1)
- Bond Strengths in ChCl3-and ChOCl3-(Ch = S, Se, Te): Experiment and Theory (2003) (1)
- The Internet (1996) (1)
- The 21st century chemistry journal (1999) (1)
- Computational Approaches to Understanding Enzymes (2014) (0)
- Fundamentals of Organic Chemistry (2014) (0)
- The Electronic Superhighway: What's on It for Chemists? (1995) (0)
- Computed Spectral Properties and Structure Identification (2014) (0)
- Unusual pKs and Bond Paths of 1,3-Dilithiocyclobutane. (1987) (0)
- Organic Reaction Dynamics (2014) (0)
- The Current State of Electronic Publishing of Scientific Manuscripts (2004) (0)
- Ring Strain Energy and Inversion Barrier of Phospha(3)radialene and Aza(3)radialene (2010) (0)
- Electron Density Analysis of the Reaction of Aldehydes with Lithium Hydride. (1986) (0)
- Structure, Bonding and Spectroscopic Properties of Phosphonium Ylides (2006) (0)
- Bond Paths and Bond Properties of Carbon-Lithium Bonds. (1988) (0)
- 1,6-Diphospha-1,5-hexadiene and the Phospha-Cope Rearrangement: An ab initio Investigation (1996) (0)
- Brief History of Applied Theoretical Organic Chemistry (2018) (0)
- (1,3)-Sigmatropic Rearrangement of 1,3,5-Triphosphabicyclo(2.1.0)pent- 2-ene. (1996) (0)
- Unusual bond paths in organolithium compounds (1986) (0)
- Theoretical investigation of the conversion of methylene-1,2-diphosphirane carbene to 1,4-diphospha-1,2,3-butatriene (1992) (0)
- Acknowledgement to Referees 2013 (2014) (0)
- Ring Strain Energies of Tetraphospha‐ and Tetraarsacubanes. (1998) (0)
- Chemical Publication (2002) (0)
- Amide Coordination Effects in Organolithiums. (1989) (0)
- Solution‐Phase Organic Chemistry (2014) (0)
- Cycloparaphenylene Möbius trefoils. (2020) (0)
- The Internet for Scientists and the World Wide Web for Scientists and Engineers: A Complete Reference for Navigating, Researching and Publishing Online (1998) (0)
- Ab initio investigation of the diels-alder reaction between 2H-phosphole and phosphaethene: A model for phosphole dimerization (1997) (0)
- Application of Genetic Algorithm to the Calculation of Bound States and Local Density Approximations (1995) (0)
- Designing the Next-Generation Chemistry Journal: The Internet Journal of Chemistry (1998) (0)
- Theoretical Studies of Phosphirane and Phosphetane. (1990) (0)
- Bond Strengths in ChCl3‐ and ChOCl3‐ (Ch: S, Se, Te): Experiment and Theory. (2004) (0)
- Diels-Alder Reactions of Aza- and Phospha-1,3-butadienes with Ethylene. An ab initio Study. (2010) (0)
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