edits to library details page

frontend/src/App.jsx

@@ -10,13 +10,13 @@ import Home from './pages/Home';
 
 const Search = lazy(() => import('./pages/SearchHook'));
 const NeighborSearch = lazy(() => import('./pages/Neighbors'));
-const About = lazy(() => import('./pages/About'))
+const Library_Details = lazy(() => import('./pages/Library_Details'))
 
 const pages = {
   'Home': <Home />, 
   'Search': <Search />,
   'Neighbors': <NeighborSearch/>, 
-  'About': <About/>,
+  'Library Details': <Library_Details/>,
 };
 
 function Content() {

frontend/src/common/Navbar.jsx

@@ -106,7 +106,7 @@ const ResponsiveAppBar = ({pages}) => {
             </Typography>
             <Box sx={{ flexGrow: 1, display: { xs: 'none', md: 'flex' } }}>
               {Object.keys(pages).map((page) => (
-                <Link to={page.toLowerCase()} id={page.toLowerCase()} className="NavbarLink"  style={{ textDecoration: 'none' }} >
+                <Link to={page.replace(" ", "_").toLowerCase()} id={page.replace(" ", "_").toLowerCase()} className="NavbarLink"  style={{ textDecoration: 'none' }} >
                     <Button
                     key={page}
                     onClick={handleCloseNavMenu}

frontend/src/common/Routes.jsx

@@ -7,7 +7,7 @@ export const AppRoutes = ({ pages }) => (
   <Routes>
     <Route path='/' element={pages['Home']}></Route>
     {Object.keys(pages).map((page, index) => (
-      <Route key={index} path={`/${page.toLowerCase()}`} element={pages[page]} />
+      <Route key={index} path={`/${page.replace(" ", "_").toLowerCase()}`} element={pages[page]} />
     ))}
     <Route path="molecule/:molid" element={<MoleculeInfo />} />
   </Routes>

frontend/src/components/DFTTable.jsx

@@ -19,7 +19,7 @@ function createData(
 };
 
 const rows = [
-    createData("boltz", "Boltzmann-weighted average of all conformers' properties (T=298.15 K", true, true),
+    createData("boltz", "Boltzmann-weighted average of all conformers' properties (T=298.15 K)", true, true),
     createData("max", "highest value of a property of any conformer", true, true),
     createData("min", "lowest value of a property of any conformer", true, true),
     createData("std", "standard deviation of the value across all conformers", true, false),

frontend/src/pages/Home.jsx

@@ -147,7 +147,7 @@ function Home() {
             <IconLink IconElement={BubbleChartIcon} text="Neighbor Search" link='/neighbors'></IconLink>
           </Grid>
           <Grid item>
-            <IconLink IconElement={InfoIcon} text="Library Details" link="/about"></IconLink>
+            <IconLink IconElement={InfoIcon} text="Library Details" link="/library_details"></IconLink>
           </Grid>
           {/* Hide until we're ready to add
             <Grid item>

frontend/src/pages/About.jsx → frontend/src/pages/Library_Details.jsx

@@ -8,7 +8,7 @@ import {
 
 import DataTable from '../components/DFTTable';
 
-function About() {
+function Library_Details() {
     return  (
     <Container maxWidth="xl" sx={{marginBottom: "30px"}}>
 
@@ -20,11 +20,8 @@ function About() {
         These guess geometries were optimized at the GFN2-xTB level of theory (xTB v6.2.2). 
         Optimized geometries were subjected to a conformational search using CREST (v2.8) at the GFN2-xTB level with toluene solvation (GBSA model). 
         For ligands containing ferrocene, conformational searches were performed at the GFN-FF level to avoid structural changes.
-        Molecular descriptors at the xTB level for the full conformational ensembles from CREST were collected using MORFEUS.
         </Typography>
 
-        <Typography variant="body1" paragraph></Typography>
-
         <Typography variant="body1" paragraph>
             Molecular descriptors at the xTB level for the full conformational ensembles from CREST were collected using MORFEUS.
         </Typography>
@@ -42,8 +39,7 @@ function About() {
                 </ListItem>
 
                 <ListItem>
-                Up to 20 conformers within 3 kcal/mol relative energy in the <i>free ligand conformer set.</i> 
-                If more than 20 conformers are in that range, the selection was made by RMSD pruning (using PyDP4). 
+                Up to 20 conformers within 3 kcal/mol relative energy in the <i>free ligand conformer set.</i> If more than 20 conformers are in that range, the selection was made by RMSD pruning (using PyDP4). 
                 This enables structurally diverse selection of conformers in the relevant energy window.
                 </ListItem>
             </List>
@@ -54,7 +50,7 @@ function About() {
         <Typography variant="body1" paragraph>
                 Prior to DFT computations, the [Ni(CO)<sub>3</sub>]-fragment was removed from the Ni complex conformer set to obtain free-ligand initial geometries. 
                 All DFT optimizations (Gaussian 16, rev C.01) were performed at the PBE-D3(BJ)/6-31+G(d,p) level of theory. 
-                The corresponding geometries were used for a series of single-point energy calculations at the PBE0-D3(BJ)/def2-TZVP and PBE0-D3(BJ)/def2-TZVP/SMD(CHCl3) levels of theory. 
+                The corresponding geometries were used for a series of single-point energy calculations at the PBE0-D3(BJ)/def2-TZVP and PBE0-D3(BJ)/def2-TZVP/SMD(CHCl<sub>3</sub>) levels of theory. 
                 Additional single-points were also run for the radical cations and radical anions from the optimized geometry of the neutral free ligand.
         </Typography>
 
@@ -80,4 +76,4 @@ function About() {
 
 }
 
-export default About;
+export default Library_Details;