Results 1 - 20 of 10,154 for All Library Resources
Sorted by:
Sorted by:
RelevanceOr hit Enter to replace sort method
- Relevance
- Date-newest
- Date-oldest
- Popularity
- Author
- Title
Refined by:
Journal Title:
International Journal Of Quantum Chemistry
| Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
|---|---|---|---|
| 1 |
Material Type: Article
|
|
Constructing high-dimensional neural network potentials: A tutorial reviewInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1032-1050 [Peer Reviewed Journal]2015 Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.24890 ;CODEN: IJQCB2Full text available |
| 2 |
Material Type: Article
|
|
Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciencesInternational journal of quantum chemistry, 2013-09, Vol.113 (18), p.2110-2142 [Peer Reviewed Journal]Copyright © 2013 The Authors. International Journal of Quantum Chemistry Published by Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.24481 ;CODEN: IJQCB2Full text available |
| 3 |
Material Type: Article
|
|
Hubbard-corrected DFT energy functionals: The LDA+U description of correlated systemsInternational journal of quantum chemistry, 2014-01, Vol.114 (1), p.14-49 [Peer Reviewed Journal]Copyright © 2013 Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.24521 ;CODEN: IJQCB2Full text available |
| 4 |
Material Type: Article
|
|
CRYSTAL14: A program for the ab initio investigation of crystalline solidsInternational journal of quantum chemistry, 2014-10, Vol.114 (19), p.1287-1317 [Peer Reviewed Journal]Copyright © 2014 Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.24658 ;CODEN: IJQCB2Full text available |
| 5 |
Material Type: Article
|
|
Gaussian approximation potentials: A brief tutorial introductionInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1051-1057 [Peer Reviewed Journal]2015 Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.24927 ;CODEN: IJQCB2Full text available |
| 6 |
Material Type: Article
|
|
Crystal structure representations for machine learning models of formation energiesInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1094-1101 [Peer Reviewed Journal]2015 Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;ISSN: 1097-461X ;EISSN: 1097-461X ;DOI: 10.1002/qua.24917 ;CODEN: IJQCB2Full text available |
| 7 |
Material Type: Article
|
|
TD-DFT benchmarks: A reviewInternational journal of quantum chemistry, 2013-09, Vol.113 (17), p.2019-2039 [Peer Reviewed Journal]2013 Wiley Periodicals, Inc. ;Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.24438 ;CODEN: IJQCB2Full text available |
| 8 |
Material Type: Article
|
|
Adaptive machine learning framework to accelerate ab initio molecular dynamicsInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1074-1083 [Peer Reviewed Journal]2014 Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.24836 ;CODEN: IJQCB2Full text available |
| 9 |
Material Type: Article
|
|
Tensor product methods and entanglement optimization for ab initio quantum chemistryInternational journal of quantum chemistry, 2015-10, Vol.115 (19), p.1342-1391 [Peer Reviewed Journal]2015 Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.24898 ;CODEN: IJQCB2Full text available |
| 10 |
Material Type: Article
|
|
Machine learning for quantum mechanics in a nutshellInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1058-1073 [Peer Reviewed Journal]2015 Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.24954 ;CODEN: IJQCB2Full text available |
| 11 |
Material Type: Article
|
|
The Bravyi-Kitaev transformation: Properties and applicationsInternational journal of quantum chemistry, 2015-10, Vol.115 (19), p.1431-1441 [Peer Reviewed Journal]2015 Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.24969 ;CODEN: IJQCB2Full text available |
| 12 |
Material Type: Article
|
|
Intrinsic reaction coordinate: Calculation, bifurcation, and automated searchInternational journal of quantum chemistry, 2015-03, Vol.115 (5), p.258-269 [Peer Reviewed Journal]2014 Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.24757 ;CODEN: IJQCB2Full text available |
| 13 |
Material Type: Article
|
|
Detailed comparison of the pnicogen bond with chalcogen, halogen, and hydrogen bondsInternational journal of quantum chemistry, 2013-06, Vol.113 (11), p.1609-1620 [Peer Reviewed Journal]Copyright © 2012 Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.24357 ;CODEN: IJQCB2Full text available |
| 14 |
Material Type: Article
|
|
A general method to describe intersystem crossing dynamics in trajectory surface hoppingInternational journal of quantum chemistry, 2015-09, Vol.115 (18), p.1215-1231 [Peer Reviewed Journal]2015 Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.24891 ;CODEN: IJQCB2Full text available |
| 15 |
Material Type: Article
|
|
Electron dynamics with real-time time-dependent density functional theoryInternational journal of quantum chemistry, 2016-05, Vol.116 (10), p.739-749 [Peer Reviewed Journal]2016 Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.25096 ;CODEN: IJQCB2Full text available |
| 16 |
Material Type: Article
|
|
Fourier series of atomic radial distribution functions: A molecular fingerprint for machine learning models of quantum chemical propertiesInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1084-1093 [Peer Reviewed Journal]2015 Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.24912 ;CODEN: IJQCB2Full text available |
| 17 |
Material Type: Article
|
|
Understanding machine-learned density functionalsInternational journal of quantum chemistry, 2016-06, Vol.116 (11), p.819-833 [Peer Reviewed Journal]2015 Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.25040 ;CODEN: IJQCB2Full text available |
| 18 |
Material Type: Article
|
|
Kinetic-energy-density dependent semilocal exchange-correlation functionalsInternational journal of quantum chemistry, 2016-11, Vol.116 (22), p.1641-1694 [Peer Reviewed Journal]2016 Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.25224 ;CODEN: IJQCB2Full text available |
| 19 |
Material Type: Article
|
|
Response properties of embedded molecules through the polarizable embedding modelInternational journal of quantum chemistry, 2019-01 [Peer Reviewed Journal]info:eu-repo/semantics/openAccess ;ISSN: 1097-461X ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.25717Digital Resources/Online E-Resources |
| 20 |
Material Type: Article
|
|
Aiming at an accurate prediction of vibrational and electronic spectra for medium-to-large molecules: An overviewInternational journal of quantum chemistry, 2016-11, Vol.116 (21), p.1543-1574 [Peer Reviewed Journal]2016 The Authors International Journal of Quantum Chemistry Published by Wiley Periodicals, Inc. ;ISSN: 0020-7608 ;EISSN: 1097-461X ;DOI: 10.1002/qua.25188 ;CODEN: IJQCB2Full text available |
Results 1 - 20 of 10,154 for All Library Resources
Sorted by:
Sorted by:
RelevanceOr hit Enter to replace sort method
- Relevance
- Date-newest
- Date-oldest
- Popularity
- Author
- Title
Personalize your results
Refine Search Results
Expand My Results
Refine My Results
Creation Date
- Before 1979 (890)
- 1979 To 1988 (1,807)
- 1989 To 1998 (2,227)
- 1999 To 2009 (3,334)
- After 2009 (1,897)
-
More options
Resource Type
- Articles (10,153)
- Reviews (1)
-
More options
Subject
- Mathematics (10,148)
- Physics (10,144)
- Chemistry (10,140)
- Mathematics, Interdisciplinary Applications (10,139)
- Quantum Science & Technology (10,139)
- Physics, Atomic, Molecular & Chemical (10,139)
- Physical Sciences (10,139)
- Science & Technology (10,139)
- Chemistry, Physical (10,139)
- Exact Sciences And Technology (873)
- Condensed Matter Physics (855)
- Atomic And Molecular Physics, And Optics (848)
- Physical And Theoretical Chemistry (848)
- Atomic And Molecular Physics (780)
- Electronic Structure Of Atoms, Molecules And Their Ions: Theory (613)
- Density Functional Theory (501)
- Calculations And Mathematical Techniques In Atomic And Molecular Physics (392)
- Dft (329)
- Ab Initio (178)
- Electronic Structure (173)
-
More options
Databases
Journal Title
- Int. J. Quant. Chem. 4: 431-50 (1)
- Int. J. Quant. Chem. 6: No. 1, 131-42 (1)
- Int. J. Quant. Chem., Quant. Biol. Symp.; (5)
- Int. J. Quant. Chem., Symp.; (9)
- Int. J. Quant. Chem.; (78)
- Int. J. Quantum Chem (3)
- International Journal Of Quantum Chemistry Symposium (4)
- International Journal Of Quantum Chemistry, Quantum Chemistry Symposium (4)
- International Journal Of Quantum Chemistry. Quantum Biology Symposium : Proceedings Of The International Symposium On Quantum Biology And Quantum Pharmacology. International Symposium On Quantum Biology And Quantum Pharmacology (4)
-
More options
|
||||
 |
INSPIRE LIBRARY - TON DUC THANG UNIVERSITY |  |
(84-028) 37 755 057 | Feedback |
| 19 Nguyen Huu Tho St. Dist.7, HCM |  |
thuvien@tdtu.edu.vn | ||