Faculty

Institution

Unit

Venue

Mary Van Vleet

Spelman College

Affiliations

Division of Natural Science and Mathematics

Chemistry and Biochemistry

NoneMary Van Vleet is currently serving as a Chemistry And Biochemistry faculty at Spelman College.

Honors

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Experiences

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Education

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Mary Van Vleet

Spelman College

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computational chemistry molecular modelling quantum chemistry applied physics chemistry theoretical chemistry physical chemistry numerical simulations stem education biophysics systems biology biophysical chemistry computational biology deformation undergraduate research metals ethnic studies higher education gender diversity molecular structure molecular physics computational physics sustainable chemistry transition metal chemistry thinking skills computational biophysics experimental biophysics ab-initio methods biophysical modeling computational geochemistry college pipeline university student retention student success molecular mechanics anisotropic materials organometallic catalysis software engineering education computational thinking program comprehension problem solving environment computational literacy short-range repulsion improved models atomic-level anisotropy standard force fields chemistry superpowers black women ’ benzene case study carbon-carbon reductive elimination pincer complex geometric control computational studies platinum group metals c-h oxidative addition board 196 assess debugging skills

Notable Scholarly Works

Notable Federal Grants

Collaborators

A σ-Poor, π-Rich Pyridonate Pincer Ligand Designed to Enhance C–H Oxidative Addition at Platinum Group Metals: Experimental and Computational Studies. Organometallics (2024)

Maria J. H. LewJacob A. KelberMary J. Van VleetAdam R. JohnsonElizabeth R. JarvoNancy S. B. Williams

computational studieschemistryc-h oxidative additionorganometallic chemistryorganometallic catalysisplatinum group metals

Board 196: A Framework to Assess Debugging Skills for Computational Thinking in Science and Engineering. (2024)

engineering educationcomputing educationsoftware engineering educationtechnologyprogram comprehensioneducationassess debugging skillsthinking skillsboard 196computational thinkingsoftware engineeringcomputational literacyproblem solving environmentstem education

Development and Implementation of Atomically Anisotropic First-Principles Force Fields: A Benzene Case Study. The Journal of Physical Chemistry A (2023)

molecular mechanicsdensity functional theorybenzene case studymolecular structuremolecular physicscomputational materials sciencequantum chemistrymaterials scienceapplied physicsphysical chemistryanisotropic materialscomputational physicstheoretical chemistrycomputational chemistrymolecular modelling

Geometric Control of Carbon–Carbon Reductive Elimination From a Platinum(IV) Pincer Complex. Organometallics (2022)

sustainable chemistrychemistryinorganic chemistrychemical engineeringpincer complexgeometric controlcarbon–carbon reductive eliminationtransition metal chemistrycatalysis

Unleashing Our Chemistry Superpowers: Promoting Student Success and Well-Being at a Black Women’s College During Covid-19. Journal of Chemical Education (2020)

undergraduate researchcollege pipelineethnic studiesblack women ’chemistry superpowershigher educationeducationgender studiesbelongingstudent successgender diversityafrican american studiesstem educationeducational researchuniversity student retention

New Angles on Standard Force Fields: Toward a General Approach for Treating Atomic-Level Anisotropy. Journal of Chemical Theory and Computation (2017)

Mary J. Van VleetAlston J. MisquittaJ. R. Schmidt

numerical simulationscomputational geochemistrystandard force fieldsmetalsquantum chemistryearth scienceatomic-level anisotropyapplied physicsphysical chemistryphysicsdeformationcomputational chemistrymolecular modelling

Beyond Born–Mayer: Improved Models for Short-Range Repulsion in Ab Initio Force Fields. Journal of Chemical Theory and Computation (2016)

Mary J. Van VleetAlston J. MisquittaAnthony J. StoneJ. R. Schmidt

biophysicsnumerical simulationstheoretical chemistrybiophysical modelingshort-range repulsionexperimental biophysicsquantum chemistrysystems biologyimproved modelscomputational biologymolecular biologycomputational chemistrycomputational biophysicsmolecular modellingbiophysical chemistryab-initio methods

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Mary Van Vleet

Spelman College

Affiliations

Division of Natural Science and Mathematics

Chemistry and Biochemistry

NoneMary Van Vleet is currently serving as a Chemistry And Biochemistry faculty at Spelman College.

Honors

Create free account to unlock more features

Experiences

Create free account to unlock more features

Education

Create free account to unlock more features

Mary Van Vleet

Spelman College

You can click a keyword to filter the displayed items

Notable Scholarly Works

Notable Federal Grants

Collaborators

A σ-Poor, π-Rich Pyridonate Pincer Ligand Designed to Enhance C–H Oxidative Addition at Platinum Group Metals: Experimental and Computational Studies. Organometallics (2024)

Maria J. H. LewJacob A. KelberMary J. Van VleetAdam R. JohnsonElizabeth R. JarvoNancy S. B. Williams

computational studieschemistryc-h oxidative additionorganometallic chemistryorganometallic catalysisplatinum group metals

Board 196: A Framework to Assess Debugging Skills for Computational Thinking in Science and Engineering. (2024)

Development and Implementation of Atomically Anisotropic First-Principles Force Fields: A Benzene Case Study. The Journal of Physical Chemistry A (2023)

Geometric Control of Carbon–Carbon Reductive Elimination From a Platinum(IV) Pincer Complex. Organometallics (2022)

sustainable chemistrychemistryinorganic chemistrychemical engineeringpincer complexgeometric controlcarbon–carbon reductive eliminationtransition metal chemistrycatalysis

Unleashing Our Chemistry Superpowers: Promoting Student Success and Well-Being at a Black Women’s College During Covid-19. Journal of Chemical Education (2020)

New Angles on Standard Force Fields: Toward a General Approach for Treating Atomic-Level Anisotropy. Journal of Chemical Theory and Computation (2017)

Mary J. Van VleetAlston J. MisquittaJ. R. Schmidt

Beyond Born–Mayer: Improved Models for Short-Range Repulsion in Ab Initio Force Fields. Journal of Chemical Theory and Computation (2016)

Mary J. Van VleetAlston J. MisquittaAnthony J. StoneJ. R. Schmidt

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10 / page