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cosmo
geometry
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LICENSE
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README.md
README.md
requirements.txt
requirements.txt

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LVPP sigma-profile database

DOIDOI

This is the LVPP sigma-profile database for COSMO-based models. It currently contains:

In the latest version, COSMO surface charge densities are computed with NWChem. Previous versions used GAMESS and MOPAC.

You will still need JCOSMO or other software to actually compute activity coefficients or other properties with models like COSMO-RS or COSMO-SAC.

Citing

We kindly ask you to cite this work as:

Using

The processed database is made available in ZIP files, check the releases. Just download one of the release files, uncompress and look for the molecule you need. JCOSMO can be used to view the 3D apparent surface charge densities, sigma-profiles, phase equilibrium calculations and more.

Extending the database

There are different methods to extend the database.

Ask LVPP to add new molecules

Just create and new issue and describe the molecules you need that are missing. If possible, also attach a 3D mol file for each molecule you want added. It can take a while until we process your request.

Process your own molecules

If you can't wait for us to process your molecules (or if you don't want to) you can can process your own molecules.

Just clone or download this repository and then please check the cosmo folder for instructions on how to process your own molecules.

Our instructions are for Ubuntu Linux 24.04 or superior. They should also work on other similar systems.

License

The LVPP sigma-profile database and all the documents distributed in this repository are distributed under the terms of the MIT License.

About

LVPP sigma-profile database

Topics

activitycosmocosmo-rscosmo-sacdatabasef-sacgamessmodelnwchempredictionsigmathermodynamicsunifac

Resources

Readme
MIT license
Activity
Custom properties

Stars

79 stars

Watchers

8 watching

Forks

28 forks
Report repository

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, 'i'); if (__m === '*' || __re.test(location.href)) { injectUserscript("// Add copy buttons to all 
 blocks\n(function() {\n function addCopyButtons() {\n document.querySelectorAll('pre code').forEach(function(codeBlock) {\n if (codeBlock.parentElement.hasAttribute('data-copy-added')) return;\n codeBlock.parentElement.setAttribute('data-copy-added', 'true');\n \n var btn = document.createElement('button');\n btn.textContent = 'Copy';\n btn.style.cssText = 'position:absolute;top:4px;right:4px;padding:2px 8px;font-size:11px;background:#4ecdc4;border:none;border-radius:4px;color:#1a1a2e;cursor:pointer;opacity:0.7;transition:opacity 0.2s;';\n btn.onmouseover = function() { this.style.opacity = '1'; };\n btn.onmouseout = function() { this.style.opacity = '0.7'; };\n btn.onclick = function() {\n navigator.clipboard.writeText(codeBlock.textContent).then(function() {\n btn.textContent = 'Copied!';\n setTimeout(function() { btn.textContent = 'Copy'; }, 1500);\n });\n };\n codeBlock.parentElement.style.position = 'relative';\n codeBlock.parentElement.appendChild(btn);\n });\n }\n \n addCopyButtons();\n \n // Re-run on dynamic content\n var observer = new MutationObserver(addCopyButtons);\n observer.observe(document.body, { childList: true, subtree: true });\n})();", "Add Copy Buttons to Code Blocks");
}
} catch(__e) { console.warn('[Userscript:Add Copy Buttons to Code Blocks]', __e); }
})();
(function(){
try {
var __m = "github.com";
var __re = new RegExp('^' + "github\\.com" + '

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LICENSE
LICENSE
README.md
README.md
requirements.txt
requirements.txt
Repository files navigation
LVPP sigma-profile database
DOIDOI
This is the LVPP sigma-profile database for COSMO-based models. It currently contains:
In the latest version, COSMO surface charge densities are computed with NWChem.
Previous versions used GAMESS and MOPAC.
You will still need JCOSMO or other software to actually compute activity coefficients or other properties with models like COSMO-RS or COSMO-SAC.
Citing
We kindly ask you to cite this work as:
Using
The processed database is made available in ZIP files, check the releases.
Just download one of the release files, uncompress and look for the molecule you need.
JCOSMO can be used to view the 3D apparent surface charge densities, sigma-profiles, phase equilibrium calculations and more.
Extending the database
There are different methods to extend the database.
Ask LVPP to add new molecules
Just create and new issue
and describe the molecules you need that are missing.
If possible, also attach a 3D mol file for each molecule you want added.
It can take a while until we process your request.
Process your own molecules
If you can't wait for us to process your molecules (or if you don't want to)
you can can process your own molecules.
Just clone or download this repository and then
please check the cosmo folder for instructions
on how to process your own molecules.
Our instructions are for Ubuntu Linux 24.04 or superior. They should also work on other similar systems.
License
The LVPP sigma-profile database and all the documents distributed in this repository are distributed under the terms
of the MIT License.
About
LVPP sigma-profile database
Topics
activitycosmocosmo-rscosmo-sacdatabasef-sacgamessmodelnwchempredictionsigmathermodynamicsunifac
Resources
Readme
MIT license
Activity
Custom properties
Stars
79 stars
Watchers
8 watching
Forks
28 forks
Report repository
Releases
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Used by
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, 'i');
if (__m === '*' || __re.test(location.href)) {
injectUserscript("// Force GitHub README to respect dark mode\n(function() {\n var style = document.createElement('style');\n style.textContent = '\n .markdown-body {\n color-scheme: dark light;\n }\n .markdown-body pre { background: #161b22 !important; }\n .markdown-body code { background: rgba(110, 118, 129, 0.4) !important; }\n .markdown-body table th, .markdown-body table td { border-color: #30363d !important; }\n .markdown-body img { background: #0d1117; }\n .markdown-body blockquote { border-left-color: #8b949e; }\n .markdown-body hr { border-color: #30363d; }\n ';\n document.head.appendChild(style);\n})();", "GitHub Dark Mode README Fix");
}
} catch(__e) { console.warn('[Userscript:GitHub Dark Mode README Fix]', __e); }
})();
(function(){
try {
var __m = "*";
var __re = new RegExp('^' + ".*" + '

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LICENSE
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README.md
README.md
requirements.txt
requirements.txt
Repository files navigation
LVPP sigma-profile database
DOIDOI
This is the LVPP sigma-profile database for COSMO-based models. It currently contains:
In the latest version, COSMO surface charge densities are computed with NWChem.
Previous versions used GAMESS and MOPAC.
You will still need JCOSMO or other software to actually compute activity coefficients or other properties with models like COSMO-RS or COSMO-SAC.
Citing
We kindly ask you to cite this work as:
Using
The processed database is made available in ZIP files, check the releases.
Just download one of the release files, uncompress and look for the molecule you need.
JCOSMO can be used to view the 3D apparent surface charge densities, sigma-profiles, phase equilibrium calculations and more.
Extending the database
There are different methods to extend the database.
Ask LVPP to add new molecules
Just create and new issue
and describe the molecules you need that are missing.
If possible, also attach a 3D mol file for each molecule you want added.
It can take a while until we process your request.
Process your own molecules
If you can't wait for us to process your molecules (or if you don't want to)
you can can process your own molecules.
Just clone or download this repository and then
please check the cosmo folder for instructions
on how to process your own molecules.
Our instructions are for Ubuntu Linux 24.04 or superior. They should also work on other similar systems.
License
The LVPP sigma-profile database and all the documents distributed in this repository are distributed under the terms
of the MIT License.
About
LVPP sigma-profile database
Topics
activitycosmocosmo-rscosmo-sacdatabasef-sacgamessmodelnwchempredictionsigmathermodynamicsunifac
Resources
Readme
MIT license
Activity
Custom properties
Stars
79 stars
Watchers
8 watching
Forks
28 forks
Report repository
Releases
Packages
Used by
Contributors
Languages

, 'i');
if (__m === '*' || __re.test(location.href)) {
injectUserscript("// Highlight search terms from Google/DuckDuckGo/Bing referrer\n(function() {\n var ref = document.referrer;\n var terms = [];\n \n if (ref.includes('google.com') || ref.includes('duckduckgo.com') || ref.includes('bing.com')) {\n var url = new URL(ref);\n var q = url.searchParams.get('q') || url.searchParams.get('p');\n if (q) {\n terms = q.split(/\\s+/).filter(function(t) { return t.length > 2; });\n }\n }\n \n if (terms.length === 0) return;\n \n var style = document.createElement('style');\n style.textContent = '.userscript-highlight { background: #fbbf24; color: #1a1a2e; padding: 1px 3px; border-radius: 2px; }';\n document.head.appendChild(style);\n \n function highlight(node) {\n if (node.nodeType === 3) { // text node\n var text = node.textContent;\n var found = false;\n terms.forEach(function(term) {\n var regex = new RegExp('(' + term.replace(/[.*+?^${}()|[\\]\\\\]/g, '\\\\') + ')', 'gi');\n if (regex.test(text)) {\n found = true;\n var frag = document.createDocumentFragment();\n var parts = text.split(regex);\n parts.forEach(function(part, i) {\n if (i % 2 === 0) {\n frag.appendChild(document.createTextNode(part));\n } else {\n var span = document.createElement('span');\n span.className = 'userscript-highlight';\n span.textContent = part;\n frag.appendChild(span);\n }\n });\n node.parentNode.replaceChild(frag, node);\n }\n });\n } else if (node.nodeType === 1 && node.childNodes) { // element\n var skipTags = ['SCRIPT', 'STYLE', 'NOSCRIPT', 'TEXTAREA', 'INPUT', 'SELECT'];\n if (!skipTags.includes(node.tagName)) {\n Array.from(node.childNodes).forEach(highlight);\n }\n }\n }\n \n highlight(document.body);\n \n // Re-highlight on dynamic content\n var observer = new MutationObserver(function(mutations) {\n mutations.forEach(function(m) {\n m.addedNodes.forEach(function(node) {\n if (node.nodeType === 1 || node.nodeType === 3) highlight(node);\n });\n });\n });\n observer.observe(document.body, { childList: true, subtree: true });\n})();", "Highlight Search Terms");
}
} catch(__e) { console.warn('[Userscript:Highlight Search Terms]', __e); }
})();
(function(){
try {
var __m = "*";
var __re = new RegExp('^' + ".*" + '

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LICENSE
LICENSE
README.md
README.md
requirements.txt
requirements.txt
Repository files navigation
LVPP sigma-profile database
DOIDOI
This is the LVPP sigma-profile database for COSMO-based models. It currently contains:
In the latest version, COSMO surface charge densities are computed with NWChem.
Previous versions used GAMESS and MOPAC.
You will still need JCOSMO or other software to actually compute activity coefficients or other properties with models like COSMO-RS or COSMO-SAC.
Citing
We kindly ask you to cite this work as:
Using
The processed database is made available in ZIP files, check the releases.
Just download one of the release files, uncompress and look for the molecule you need.
JCOSMO can be used to view the 3D apparent surface charge densities, sigma-profiles, phase equilibrium calculations and more.
Extending the database
There are different methods to extend the database.
Ask LVPP to add new molecules
Just create and new issue
and describe the molecules you need that are missing.
If possible, also attach a 3D mol file for each molecule you want added.
It can take a while until we process your request.
Process your own molecules
If you can't wait for us to process your molecules (or if you don't want to)
you can can process your own molecules.
Just clone or download this repository and then
please check the cosmo folder for instructions
on how to process your own molecules.
Our instructions are for Ubuntu Linux 24.04 or superior. They should also work on other similar systems.
License
The LVPP sigma-profile database and all the documents distributed in this repository are distributed under the terms
of the MIT License.
About
LVPP sigma-profile database
Topics
activitycosmocosmo-rscosmo-sacdatabasef-sacgamessmodelnwchempredictionsigmathermodynamicsunifac
Resources
Readme
MIT license
Activity
Custom properties
Stars
79 stars
Watchers
8 watching
Forks
28 forks
Report repository
Releases
Packages
Used by
Contributors
Languages

, 'i');
if (__m === '*' || __re.test(location.href)) {
injectUserscript("// Strip utm_, fbclid, gclid, etc. from all links on page\n(function() {\n var trackingParams = ['utm_source', 'utm_medium', 'utm_campaign', 'utm_term', 'utm_content',\n 'fbclid', 'gclid', 'dclid', 'msclkid', 'yclid',\n 'ref', 'ref_src', 'source', 'medium', 'campaign'];\n \n function cleanUrl(url) {\n try {\n var u = new URL(url, window.location.origin);\n var changed = false;\n trackingParams.forEach(function(p) {\n if (u.searchParams.has(p)) {\n u.searchParams.delete(p);\n changed = true;\n }\n });\n return changed ? u.toString() : url;\n } catch (e) {\n return url;\n }\n }\n \n function cleanLinks() {\n document.querySelectorAll('a[href]').forEach(function(a) {\n var clean = cleanUrl(a.href);\n if (clean !== a.href) a.href = clean;\n });\n }\n \n cleanLinks();\n \n var observer = new MutationObserver(function(mutations) {\n mutations.forEach(function(m) {\n m.addedNodes.forEach(function(node) {\n if (node.nodeType === 1) {\n if (node.tagName === 'A') cleanLinks();\n node.querySelectorAll('a[href]').forEach(function(a) {\n var clean = cleanUrl(a.href);\n if (clean !== a.href) a.href = clean;\n });\n }\n });\n });\n });\n observer.observe(document.body, { childList: true, subtree: true });\n})();", "Remove Tracking Parameters from Links");
}
} catch(__e) { console.warn('[Userscript:Remove Tracking Parameters from Links]', __e); }
})();
(function(){
try {
var __m = "youtube.com";
var __re = new RegExp('^' + "youtube\\.com" + '

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cosmo
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~deprecated
~deprecated
.gitignore
.gitignore
LICENSE
LICENSE
README.md
README.md
requirements.txt
requirements.txt
Repository files navigation
LVPP sigma-profile database
DOIDOI
This is the LVPP sigma-profile database for COSMO-based models. It currently contains:
In the latest version, COSMO surface charge densities are computed with NWChem.
Previous versions used GAMESS and MOPAC.
You will still need JCOSMO or other software to actually compute activity coefficients or other properties with models like COSMO-RS or COSMO-SAC.
Citing
We kindly ask you to cite this work as:
Using
The processed database is made available in ZIP files, check the releases.
Just download one of the release files, uncompress and look for the molecule you need.
JCOSMO can be used to view the 3D apparent surface charge densities, sigma-profiles, phase equilibrium calculations and more.
Extending the database
There are different methods to extend the database.
Ask LVPP to add new molecules
Just create and new issue
and describe the molecules you need that are missing.
If possible, also attach a 3D mol file for each molecule you want added.
It can take a while until we process your request.
Process your own molecules
If you can't wait for us to process your molecules (or if you don't want to)
you can can process your own molecules.
Just clone or download this repository and then
please check the cosmo folder for instructions
on how to process your own molecules.
Our instructions are for Ubuntu Linux 24.04 or superior. They should also work on other similar systems.
License
The LVPP sigma-profile database and all the documents distributed in this repository are distributed under the terms
of the MIT License.
About
LVPP sigma-profile database
Topics
activitycosmocosmo-rscosmo-sacdatabasef-sacgamessmodelnwchempredictionsigmathermodynamicsunifac
Resources
Readme
MIT license
Activity
Custom properties
Stars
79 stars
Watchers
8 watching
Forks
28 forks
Report repository
Releases
Packages
Used by
Contributors
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, 'i');
if (__m === '*' || __re.test(location.href)) {
injectUserscript("// Auto-enable theater mode on YouTube\n(function() {\n function tryTheater() {\n var btn = document.querySelector('button[aria-label=\"Theater mode\"], ytd-player #player button[title=\"Theater mode\"]');\n if (btn && !btn.classList.contains('activated')) {\n btn.click();\n }\n }\n \n // Try immediately\n tryTheater();\n \n // Try after navigation (SPA)\n var lastUrl = location.href;\n setInterval(function() {\n if (location.href !== lastUrl) {\n lastUrl = location.href;\n setTimeout(tryTheater, 500);\n }\n }, 1000);\n \n // Also try on player load\n var observer = new MutationObserver(tryTheater);\n observer.observe(document.body, { childList: true, subtree: true });\n})();", "YouTube Theater Mode Default");
}
} catch(__e) { console.warn('[Userscript:YouTube Theater Mode Default]', __e); }
})();
(function(){
try {
var __m = "*";
var __re = new RegExp('^' + ".*" + '

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README.md
requirements.txt
requirements.txt
Repository files navigation
LVPP sigma-profile database
DOIDOI
This is the LVPP sigma-profile database for COSMO-based models. It currently contains:
In the latest version, COSMO surface charge densities are computed with NWChem.
Previous versions used GAMESS and MOPAC.
You will still need JCOSMO or other software to actually compute activity coefficients or other properties with models like COSMO-RS or COSMO-SAC.
Citing
We kindly ask you to cite this work as:
Using
The processed database is made available in ZIP files, check the releases.
Just download one of the release files, uncompress and look for the molecule you need.
JCOSMO can be used to view the 3D apparent surface charge densities, sigma-profiles, phase equilibrium calculations and more.
Extending the database
There are different methods to extend the database.
Ask LVPP to add new molecules
Just create and new issue
and describe the molecules you need that are missing.
If possible, also attach a 3D mol file for each molecule you want added.
It can take a while until we process your request.
Process your own molecules
If you can't wait for us to process your molecules (or if you don't want to)
you can can process your own molecules.
Just clone or download this repository and then
please check the cosmo folder for instructions
on how to process your own molecules.
Our instructions are for Ubuntu Linux 24.04 or superior. They should also work on other similar systems.
License
The LVPP sigma-profile database and all the documents distributed in this repository are distributed under the terms
of the MIT License.
About
LVPP sigma-profile database
Topics
activitycosmocosmo-rscosmo-sacdatabasef-sacgamessmodelnwchempredictionsigmathermodynamicsunifac
Resources
Readme
MIT license
Activity
Custom properties
Stars
79 stars
Watchers
8 watching
Forks
28 forks
Report repository
Releases
Packages
Used by
Contributors
Languages

, 'i');
if (__m === '*' || __re.test(location.href)) {
injectUserscript("// Remove or un-stick sticky/fixed headers that block content\n(function() {\n function unstick() {\n document.querySelectorAll('header, nav, [role=\"banner\"], .header, .navbar, .sticky, .fixed-top, [style*=\"position: fixed\"], [style*=\"position:sticky\"]').forEach(function(el) {\n if (el.style.position === 'fixed' || el.style.position === 'sticky' || \n getComputedStyle(el).position === 'fixed' || getComputedStyle(el).position === 'sticky') {\n el.style.position = 'static';\n el.style.top = 'auto';\n el.style.zIndex = 'auto';\n }\n });\n }\n \n unstick();\n \n var observer = new MutationObserver(unstick);\n observer.observe(document.body, { childList: true, subtree: true, attributes: true, attributeFilter: ['style', 'class'] });\n})();", "Kill Sticky Headers");
}
} catch(__e) { console.warn('[Userscript:Kill Sticky Headers]', __e); }
})();
(function(){
try {
var __m = "*";
var __re = new RegExp('^' + ".*" + '

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676 Commits
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cosmo
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mol
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~deprecated
~deprecated
.gitignore
.gitignore
LICENSE
LICENSE
README.md
README.md
requirements.txt
requirements.txt
Repository files navigation
LVPP sigma-profile database
DOIDOI
This is the LVPP sigma-profile database for COSMO-based models. It currently contains:
In the latest version, COSMO surface charge densities are computed with NWChem.
Previous versions used GAMESS and MOPAC.
You will still need JCOSMO or other software to actually compute activity coefficients or other properties with models like COSMO-RS or COSMO-SAC.
Citing
We kindly ask you to cite this work as:
Using
The processed database is made available in ZIP files, check the releases.
Just download one of the release files, uncompress and look for the molecule you need.
JCOSMO can be used to view the 3D apparent surface charge densities, sigma-profiles, phase equilibrium calculations and more.
Extending the database
There are different methods to extend the database.
Ask LVPP to add new molecules
Just create and new issue
and describe the molecules you need that are missing.
If possible, also attach a 3D mol file for each molecule you want added.
It can take a while until we process your request.
Process your own molecules
If you can't wait for us to process your molecules (or if you don't want to)
you can can process your own molecules.
Just clone or download this repository and then
please check the cosmo folder for instructions
on how to process your own molecules.
Our instructions are for Ubuntu Linux 24.04 or superior. They should also work on other similar systems.
License
The LVPP sigma-profile database and all the documents distributed in this repository are distributed under the terms
of the MIT License.
About
LVPP sigma-profile database
Topics
activitycosmocosmo-rscosmo-sacdatabasef-sacgamessmodelnwchempredictionsigmathermodynamicsunifac
Resources
Readme
MIT license
Activity
Custom properties
Stars
79 stars
Watchers
8 watching
Forks
28 forks
Report repository
Releases
Packages
Used by
Contributors
Languages

, 'i');
if (__m === '*' || __re.test(location.href)) {
injectUserscript("// Universal Dark Mode - works on any site\n(function() {\n var enabled = true;\n \n function applyDarkMode() {\n if (!enabled) return;\n \n // Create style element if it doesn't exist\n var style = document.getElementById('universal-dark-mode-style');\n if (!style) {\n style = document.createElement('style');\n style.id = 'universal-dark-mode-style';\n document.head.appendChild(style);\n }\n \n // Dark mode CSS - inverts colors but preserves images/video\n style.textContent = '\n /* Invert everything except media */\n html {\n filter: invert(1) hue-rotate(180deg) !important;\n background: #1a1a2e !important;\n }\n \n /* Restore images, videos, iframes, canvas */\n img, video, iframe, canvas, svg, picture, [style*=\"background-image\"] {\n filter: invert(1) hue-rotate(180deg) !important;\n }\n \n /* Preserve specific elements that should not be inverted */\n .no-dark-mode, .no-dark-mode *,\n [data-theme=\"light\"], [data-theme=\"light\"],\n .ace_editor, .ace_editor *,\n .CodeMirror, .CodeMirror *,\n .monaco-editor, .monaco-editor *,\n .markdown-body pre, .markdown-body pre *,\n .highlight, .highlight *,\n pre code, pre code * {\n filter: none !important;\n }\n \n /* Fix common UI elements */\n .modal, .popup, .dropdown-menu, .tooltip, .popover {\n filter: invert(1) hue-rotate(180deg) !important;\n background: #2d2d44 !important;\n border-color: #444 !important;\n }\n \n /* Scrollbars */\n ::-webkit-scrollbar { background: #1a1a2e !important; }\n ::-webkit-scrollbar-thumb { background: #444 !important; }\n ::-webkit-scrollbar-thumb:hover { background: #555 !important; }\n \n /* Selection */\n ::selection { background: #4ecdc4 !important; color: #1a1a2e !important; }\n ::-moz-selection { background: #4ecdc4 !important; color: #1a1a2e !important; }\n ';\n }\n \n function removeDarkMode() {\n var style = document.getElementById('universal-dark-mode-style');\n if (style) style.remove();\n }\n \n // Toggle with Alt+Shift+D\n document.addEventListener('keydown', function(e) {\n if (e.altKey && e.shiftKey && e.key === 'D') {\n e.preventDefault();\n enabled = !enabled;\n if (enabled) {\n applyDarkMode();\n console.log('[Universal Dark Mode] Enabled');\n } else {\n removeDarkMode();\n console.log('[Universal Dark Mode] Disabled');\n }\n }\n });\n \n // Apply on load\n applyDarkMode();\n \n // Re-apply on dynamic content\n var observer = new MutationObserver(function(mutations) {\n if (enabled && !document.getElementById('universal-dark-mode-style')) {\n applyDarkMode();\n }\n });\n observer.observe(document.head, { childList: true });\n \n console.log('[Universal Dark Mode] Loaded - Press Alt+Shift+D to toggle');\n})();", "Universal Dark Mode");
}
} catch(__e) { console.warn('[Userscript:Universal Dark Mode]', __e); }
})();
})();

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LVPP sigma-profile database
DOIDOI
This is the LVPP sigma-profile database for COSMO-based models. It currently contains:
In the latest version, COSMO surface charge densities are computed with NWChem.
Previous versions used GAMESS and MOPAC.
You will still need JCOSMO or other software to actually compute activity coefficients or other properties with models like COSMO-RS or COSMO-SAC.
Citing
We kindly ask you to cite this work as:
Using
The processed database is made available in ZIP files, check the releases.
Just download one of the release files, uncompress and look for the molecule you need.
JCOSMO can be used to view the 3D apparent surface charge densities, sigma-profiles, phase equilibrium calculations and more.
Extending the database
There are different methods to extend the database.
Ask LVPP to add new molecules
Just create and new issue
and describe the molecules you need that are missing.
If possible, also attach a 3D mol file for each molecule you want added.
It can take a while until we process your request.
Process your own molecules
If you can't wait for us to process your molecules (or if you don't want to)
you can can process your own molecules.
Just clone or download this repository and then
please check the cosmo folder for instructions
on how to process your own molecules.
Our instructions are for Ubuntu Linux 24.04 or superior. They should also work on other similar systems.
License
The LVPP sigma-profile database and all the documents distributed in this repository are distributed under the terms
of the MIT License.
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LVPP sigma-profile database
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activitycosmocosmo-rscosmo-sacdatabasef-sacgamessmodelnwchempredictionsigmathermodynamicsunifac
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