From eb4de80196f9c385672ad187a8a9b5530be24691 Mon Sep 17 00:00:00 2001 From: Michael Date: Mon, 16 Sep 2024 16:55:28 -0400 Subject: [PATCH] new changes --- build/.doctrees/Publications.doctree | Bin 13714 -> 23021 bytes build/.doctrees/Research.doctree | Bin 4132 -> 2738 bytes build/.doctrees/environment.pickle | Bin 28683 -> 29113 bytes build/Publications.html | 7 +++++++ build/Research.html | 12 +----------- build/_images/group_theme.jpg | Bin 0 -> 82486 bytes build/_sources/Publications.rst.txt | 14 ++++++++++++++ build/_sources/Research.rst.txt | 19 ++++--------------- build/_static/custom.css | 11 +++++++++++ build/_static/images/group_theme.jpg | Bin 0 -> 82486 bytes build/searchindex.js | 2 +- source/Publications.rst | 14 ++++++++++++++ source/Research.rst | 19 ++++--------------- source/_static/custom.css | 11 +++++++++++ source/_static/images/group_theme.jpg | Bin 0 -> 82486 bytes 15 files changed, 67 insertions(+), 42 deletions(-) create mode 100644 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  • Detangling Solvatochromic Effects by the Effective Fragment Potential Method (2024)

  • +
  • Capturing CO2 in Quadrupolar Binding Pockets: Broadband Microwave Spectroscopy of Pyrimidine-(CO2)n, n = 1,2, (2024)

  • Ion-Size Dependent Adsorption Crossover on the Surface of a Water Droplet (2023)

  • Predicting Mutation-Induced Changes in the Electronic Properties of Photosynthetic Proteins from First Principles: The Fenna–Matthews–Olson Complex Example (2023)

  • Quantifying the Nearly Random Microheterogeneity of Aqueous tert-Butyl Alcohol Solutions Using Vibrational Spectroscopy (2023)

  • Quantifying the Nearly Random Microheterogeneity of Aqueous tert-Butyl Alcohol Solutions Using Vibrational Spectroscopy (2023)

  • +
  • Early-Career and Emerging Researchers in Physical Chemistry Volume 2, (2023)

  • +
  • Predicting Mutation-Induced Changes in the Electronic Properties of Photosynthetic Proteins from First Principles: The Fenna–Matthews–Olson Complex Example, J. Phys. Chem. Lett. (2023)

  • +
  • Ion-Size Dependent Adsorption Crossover on the Surface of a Water Droplet, (2023)

  • +
  • Molecular and Structural Characterization of Isomeric Compounds in Atmospheric Organic Aerosol Using Ion Mobility-Mass Spectrometry, J. Phys. Chem. A, 127(7), 1656-1674 (2023)

  • +
  • Copper (I)–Pyrazolate Complexes as Solid-State Phosphors: Deep-Blue Emission through a Remote Steric Effect. J. Amer. Chem. Soc. 144(23):10186-92 (2022)

  • Expulsion of Hydroxide Ions from Methyl Hydration Shells (2022)

  • +
  • Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. J. Chem Phys 155(8) (2021)

  • Hydration and Seamless Integration of Hydrogen Peroxide in Water (2021)

  • Exchange Repulsion in Quantum Mechanical/Effective Fragment Potential Excitation Energies: Beyond Polarizable Embedding (2020)

  • Recent developments in the general atomic and molecular electronic structure system (2020)

  • diff --git a/build/Research.html b/build/Research.html index ec6ac03..db16e54 100644 --- a/build/Research.html +++ b/build/Research.html @@ -82,17 +82,7 @@

    Research

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    Here is the description of the research topics…

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    Additional content and details about research.

    +Research Theme Image
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Solvatochromic Effects by the Effective Fragment Potential Method (2024) `_ +* `Capturing CO2 in Quadrupolar Binding Pockets: Broadband Microwave Spectroscopy of Pyrimidine-(CO2)n, n = 1,2, (2024) `_ + * `Ion-Size Dependent Adsorption Crossover on the Surface of a Water Droplet (2023) `_ * `Predicting Mutation-Induced Changes in the Electronic Properties of Photosynthetic Proteins from First Principles: The Fenna–Matthews–Olson Complex Example (2023) `_ @@ -18,8 +20,20 @@ Here is a list of publications: * `Quantifying the Nearly Random Microheterogeneity of Aqueous tert-Butyl Alcohol Solutions Using Vibrational Spectroscopy (2023) `_ +* `Early-Career and Emerging Researchers in Physical Chemistry Volume 2, (2023) `_ + +* `Predicting Mutation-Induced Changes in the Electronic Properties of Photosynthetic Proteins from First Principles: The Fenna–Matthews–Olson Complex Example, J. Phys. Chem. Lett. (2023) `_ + +* `Ion-Size Dependent Adsorption Crossover on the Surface of a Water Droplet, (2023) `_ + +* `Molecular and Structural Characterization of Isomeric Compounds in Atmospheric Organic Aerosol Using Ion Mobility-Mass Spectrometry, J. Phys. Chem. A, 127(7), 1656-1674 (2023) `_ + +* `Copper (I)–Pyrazolate Complexes as Solid-State Phosphors: Deep-Blue Emission through a Remote Steric Effect. J. Amer. Chem. Soc. 144(23):10186-92 (2022) `_ + * `Expulsion of Hydroxide Ions from Methyl Hydration Shells (2022) `_ +* `Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. J. Chem Phys 155(8) (2021) `_ + * `Hydration and Seamless Integration of Hydrogen Peroxide in Water (2021) `_ * `Exchange Repulsion in Quantum Mechanical/Effective Fragment Potential Excitation Energies: Beyond Polarizable Embedding (2020) `_ diff --git a/build/_sources/Research.rst.txt b/build/_sources/Research.rst.txt index 43a8c1b..9bb4f93 100644 --- a/build/_sources/Research.rst.txt +++ b/build/_sources/Research.rst.txt @@ -1,20 +1,9 @@ Research ======== -.. raw:: html -
    -
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    - -Here is the description of the research topics... - -Additional content and details about research. +.. image:: _static/images/group_theme.jpg + :alt: Research Theme Image + :width: 100% + :align: center diff --git a/build/_static/custom.css b/build/_static/custom.css index 779a675..3157e78 100644 --- a/build/_static/custom.css +++ b/build/_static/custom.css @@ -63,3 +63,14 @@ body { color: blue; text-decoration: underline; } + +.landscape-image { + width: 100%; /* This ensures the image takes up the full width of the page */ + max-height: 500px; /* Adjust this to limit the height and maintain a landscape aspect ratio */ + object-fit: cover; /* Ensures the image scales nicely */ + margin-bottom: 20px; /* Adds some space below the image */ + display: block; + margin-left: auto; + margin-right: auto; + border-radius: 10px; /* Optional: gives the image rounded corners */ +} diff --git a/build/_static/images/group_theme.jpg b/build/_static/images/group_theme.jpg new file mode 100644 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3, "arhin": 3, "c": 3, "contact": 0, "document": 6, "educ": 1, "event": 2, "eyeson": 3, "group": [3, 6], "gupta": 3, "haghiri": 3, "isaac": 3, "jack": 3, "kenyon": 3, "lawrenc": 3, "luisa": 3, "lyudmila": 3, "m": 3, "madison": 3, "member": 3, "menu": 6, "mercer": 3, "michael": 3, "ofori": 3, "osama": 3, "paul": 3, "public": 4, "research": [5, 6], "richmond": 3, "satarupa": 3, "scandov": 3, "shahe": 3, "shameera": 3, "slipchenko": 3, "suranjan": 3, "udesh": 3, "urbina": 3, "websit": 6, "wyatt": 3}}) \ No newline at end of file diff --git a/source/Publications.rst b/source/Publications.rst index 4fcf3c4..55ffd68 100644 --- a/source/Publications.rst +++ b/source/Publications.rst @@ -10,6 +10,8 @@ Here is a list of publications: * `Detangling Solvatochromic Effects by the Effective Fragment Potential Method (2024) `_ +* `Capturing CO2 in Quadrupolar Binding Pockets: Broadband Microwave Spectroscopy of Pyrimidine-(CO2)n, n = 1,2, (2024) `_ + * `Ion-Size Dependent Adsorption Crossover on the Surface of a Water Droplet (2023) `_ * `Predicting Mutation-Induced Changes in the Electronic Properties of Photosynthetic Proteins from First Principles: The Fenna–Matthews–Olson Complex Example (2023) `_ @@ -18,8 +20,20 @@ Here is a list of publications: * `Quantifying the Nearly Random Microheterogeneity of Aqueous tert-Butyl Alcohol Solutions Using Vibrational Spectroscopy (2023) `_ +* `Early-Career and Emerging Researchers in Physical Chemistry Volume 2, (2023) `_ + +* `Predicting Mutation-Induced Changes in the Electronic Properties of Photosynthetic Proteins from First Principles: The Fenna–Matthews–Olson Complex Example, J. Phys. Chem. Lett. (2023) `_ + +* `Ion-Size Dependent Adsorption Crossover on the Surface of a Water Droplet, (2023) `_ + +* `Molecular and Structural Characterization of Isomeric Compounds in Atmospheric Organic Aerosol Using Ion Mobility-Mass Spectrometry, J. Phys. Chem. A, 127(7), 1656-1674 (2023) `_ + +* `Copper (I)–Pyrazolate Complexes as Solid-State Phosphors: Deep-Blue Emission through a Remote Steric Effect. J. Amer. Chem. Soc. 144(23):10186-92 (2022) `_ + * `Expulsion of Hydroxide Ions from Methyl Hydration Shells (2022) `_ +* `Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. J. Chem Phys 155(8) (2021) `_ + * `Hydration and Seamless Integration of Hydrogen Peroxide in Water (2021) `_ * `Exchange Repulsion in Quantum Mechanical/Effective Fragment Potential Excitation Energies: Beyond Polarizable Embedding (2020) `_ diff --git a/source/Research.rst b/source/Research.rst index 43a8c1b..9bb4f93 100644 --- a/source/Research.rst +++ b/source/Research.rst @@ -1,20 +1,9 @@ Research ======== -.. raw:: html -
    -
    -
    -
    -
    -
    -
    -
    -
    -
    - -Here is the description of the research topics... - -Additional content and details about research. +.. image:: _static/images/group_theme.jpg + :alt: Research Theme Image + :width: 100% + :align: center diff --git a/source/_static/custom.css b/source/_static/custom.css index 779a675..3157e78 100644 --- a/source/_static/custom.css +++ b/source/_static/custom.css @@ -63,3 +63,14 @@ body { color: blue; text-decoration: underline; } + +.landscape-image { + width: 100%; /* This ensures the image takes up the full width of the page */ + max-height: 500px; /* Adjust this to limit the height and maintain a landscape aspect ratio */ + object-fit: cover; /* Ensures the image scales nicely */ + margin-bottom: 20px; /* Adds some space below the image */ + display: block; + margin-left: auto; + margin-right: auto; + border-radius: 10px; /* Optional: gives the image rounded corners */ +} diff --git a/source/_static/images/group_theme.jpg b/source/_static/images/group_theme.jpg new file mode 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