Skip to main content
University Libraries
Digital Collections
Home
About
Research
Services
Spaces
News
Calendar
Ask Us
Accounts
Login
Resource Type
Article
120
Book Chapter
1
Review
1
Resource Type
Sort Resource Type
Sort Count
Article
120
Book Chapter
1
Review
1
Partner
UNT College of Arts and Sciences
119
UNT College of Science
2
UNT Libraries
1
Partner
Sort Partner
Sort Count
UNT College of Arts and Sciences
119
UNT College of Science
2
UNT Libraries
1
Collection
UNT Scholarly Works
122
UNT Graduate Student Works
1
Collection
Sort Collection
Sort Count
UNT Scholarly Works
122
UNT Graduate Student Works
1
Degree Department
Center for Advanced Scientific Computing and Modeling
122
Degree Department
Sort Degree Department
Sort Count
Center for Advanced Scientific Computing and Modeling
122
Chemistry
121
Materials Science and Engineering
1
Philosophy and Religion Studies
1
Decade
2010-2019
55
2000-2009
59
1990-1999
3
Decade
Sort Decade
Sort Count
2010-2019
55
2000-2009
59
1990-1999
3
Year
2018
1
2017
1
2016
4
2015
6
2014
3
2013
10
2012
9
2011
9
2010
12
2009
14
9 More
Year
Sort Year
Sort Count
2018
1
2017
1
2016
4
2015
6
2014
3
2013
10
2012
9
2011
9
2010
12
2009
14
2008
10
2007
10
2006
11
2005
8
2004
4
2003
1
2000
1
1998
2
1997
1
Month
December
7
November
7
October
14
September
10
August
8
July
10
June
9
May
9
April
9
March
11
February
9
January
13
Month
Sort Month
Sort Count
December
7
November
7
October
14
September
10
August
8
July
10
June
9
May
9
April
9
March
11
February
9
January
13
Day
31st
2
30th
3
29th
1
28th
1
27th
7
26th
2
25th
2
24th
4
23rd
2
22nd
7
20 More
Day
Sort Day
Sort Count
31st
2
30th
3
29th
1
28th
1
27th
7
26th
2
25th
2
24th
4
23rd
2
22nd
7
21st
3
20th
3
19th
8
18th
3
17th
1
15th
6
14th
2
13th
3
12th
5
11th
4
10th
5
9th
4
8th
6
7th
3
6th
2
5th
6
4th
9
3rd
3
2nd
4
1st
5
Language
English
122
Language
Sort Language
Sort Count
English
122
University Libraries
Digital Collections
Results
122 Matching Results
Your Search Terms:
Look in:
Full Text
Full Text
Metadata
Title
Subject
Creator
Names
Search
Start Over
Degree Department
Center for Advanced Scientific Computing and Modeling
Language
English
Results open in a new window/tab.
prev
Results:
25 - 48 of 122
next
Sort by Date Created (Oldest)
Best Match
Title
Creator
Date Created (Newest)
Date Created (Oldest)
Date Added (Newest)
Date Added (Oldest)
The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods
Intertrimer and Intratrimer Metallophilic and Excimeric Bonding in the Ground and Phosphorescent States of Trinuclear Coinage Metal Pyrazolates: A Computational Study
Hydrogen-Deuerium Exchange between TpRu(PMe3)(L)X (L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and Deuterated Arene Solvents: Evidence for Metal-Mediated Processes
Accurate Enthalpies of Formation of Alkali and Alkaline Earth Metal Oxides and Hydroxides: Assessment of the Correlation Consistent Composite Approach (ccCA)
Disproportionation of Gold(II) Complexes. A Density Functional Study of Ligand and Solvent Effects
Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Biomolecular Formation of Alkanes
The correlation-consistent composite approach: Application to the G3/99 test set
Octahedral [TpRu(PMe3)2OR]n+ Complexes (Tp = hydridotris(pyrazolyl)borate; R = H or Ph; n = 0 or 1): Reactions at Ru(II) and Ru(III) Oxidation States with Substrates that Possess Carbon-Hydrogen Bonds
Chemistry Surrounding Monomeric Copper(l) Methyl, Phenyl, Anilido, Ethoxide, and Phenoxide Complexes Supported by N-Heterocyclic Carbene Ligands: Reactivity Consistent with Both Early and Late Transition Metal Systems
Catalytic Synthesis of Arylisocyanates from Nitroaromatics. A Computational Study
Evidence for Strong Tantalum-to-Boron Dative Interactions in (silox)3Ta(BH3) and (silox)3Ta(ɳ2-B,CI-BCI2Ph) (silox = tBu3SiO)1
Reactions of SO₃ with the O/H Radical Pool under Combustion Conditions
Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds Including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene
Quantitative Computational Thermochemistry of Transition Metal Species
Computational s-Block Thermochemistry with the Correlation Consistent Composite Approach
Combined Experimental and Computational Study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl): Inter- and Intramolecular Activation of C-H Bonds and the Impact of Sterics on Catalytic Hydroarylation of Olefins
Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study
Performance of the correlation consistent composite approach for transition states: A comparison to G3B theory
Combined Experimental and Computational Studies on the Nature of Aromatic C-H Activation by Octahedral Ruthenium(II) Complexes: Evidence for σ-Bond Metathesis from Hammett Studies
Rational Design of Macrometallocyclic Trinuclear Complexes with Superior π-Acidity and π-Basicity
Olefin Substitution in (silox)3M(olefin) (silox = tBu3SiO; M = Nb, Ta): The Role of Density of States in Second vs Third Row Transition Metal Reactivity
Computational Studies of the Thermochemistry of the Atmospheric Iodine Reservoirs HOI and IONO₂
The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes
Aromatic C-H Activation and Catalytic Hydrophenylation of Ethylene by TpRu{P(OCH2)3CEt} (NCMe)Ph
FIRST
PREV
1
2
3
4
5
6
NEXT
LAST
UNT Quicklinks
Search
UNT Homepage
MyUNT
Canvas
EagleConnect
UNT Directory
UNT Map
Jobs at UNT
People & Places
Information For
...
Specific Audiences
Info for
Graduate Students
Info for
Faculty/Staff
Info for
Community & Visitors
Info for
Persons with Disabilities
Locations & Hours
Willis Library
Willis Library Hours
Willis Library Location and Floor Maps
Discovery Park Library
Discovery Park Library Hours
Discovery Park Library Location and Floor Maps
Sycamore Library
Sycamore Library Hours
Sycamore Library Location and Floor Maps
Media Library
Media Library Hours
Media Library Location and Floor Maps
Spaces
Study Spaces, Classrooms, etc.
Student Room Reservations
Faculty/Staff Event Reservations
eSports Station Registration
Service Desks
Librarians and Staff
Ask Us
Departmental / Staff Directory
Subject Librarians
Employment Opportunities
Lending & Technology
Borrowing and Renewals
Catalog:
Your Account / Renew Materials
Info on Borrowing, Fines, etc.
Online Holds / Material Delivery
Technology
24 Commons, Computer Workstations
Laptop Checkout
Printing, Scanning, Photocopies
The Spark (Makerspace, Tech. Lending)
On/Off Campus Access
Help
Citations/Style Guides
Subjects
Search for a Subject or Subject Guide
Submit
Courses
Search for a Course Guide
Submit
Search, Find, Explore
Search
Full Text Online:
Summon:
Peer-Reviewed Articles, etc.
Library Catalog:
Catalog:
Basic Search
Catalog:
Advanced Search
Databases & e-Journals
Find a Database
Submit
e-Journals
Courses & Reserves
Catalog:
Course Reserves
Digital Audio Reserves
Created and/or Curated @ UNT
University Libraries Curated:
Digital Collections
UNT
Digital Library
|
TX
Portal to Texas History
|
OK
Gateway to Oklahoma History
Special Collections Finding Aids
Special Collections
Exhibits
UNT Press
Menu
CALL
The Libraries
ASK US
Account
LOGIN
University Libraries Home
Libraries:
About
Libraries:
Research
Libraries:
Services
Libraries:
Spaces
Libraries:
News
Libraries:
Calendar
facebook
twitter
instagram
github
youtube