Subject: 541.28 - British Library Electronic Legal Deposit Catalogue-Journal Issues and Articles Search Results

Subject 541.28

1. Predicting the redox properties of uranyl complexes using electronic structure calculations. Issue 12 (7th March 2017)

Authors:: Khungar, Bharti; Roy, Ankita; Kumar, Anand; Sadhu, Biswajit; Sundararajan, Mahesh
Journal:: International journal of quantum chemistry
Issue:: Volume 117:Issue 12(2017)
Page Start:: n/a
Record Type:: Journal Article
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2. Metal–metal bonding in biscycloheptatrienyl dimetal compounds of the second‐row transition metals. Issue 12 (23rd March 2017)

Authors:: Zhang, Zhihui; Feng, Xuejun; Chen, Qun; He, Mingyang; Xie, Yaoming; Bruce King, R.; Schaefer, Henry F.
Journal:: International journal of quantum chemistry
Issue:: Volume 117:Issue 12(2017)
Page Start:: n/a
Record Type:: Journal Article
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3. Multiple electronic state mechanism for carboryne reaction with benzene: A DFT study. Issue 12 (7th March 2017)

Authors:: Huo, Rui‐Ping; Guo, Li‐hui; Zhang, Fu‐qiang; Zhang, Xiang
Journal:: International journal of quantum chemistry
Issue:: Volume 117:Issue 12(2017)
Page Start:: n/a
Record Type:: Journal Article
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4. Kinetic energy density for orbital‐free density functional calculations by axiomatic approach. Issue 12 (13th March 2017)

Authors:: Alharbi, Fahhad H.; Kais, Sabre
Journal:: International journal of quantum chemistry
Issue:: Volume 117:Issue 12(2017)
Page Start:: n/a
Record Type:: Journal Article
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5. Issue information. Issue 12 (5th June 2017)

Journal:: International journal of quantum chemistry
Issue:: Volume 117:Issue 12(2017)
Page Start:: n/a
Record Type:: Journal Article
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6. Structural influence of transition metal (Sc, Y, and Lu) atoms inside gold nanoparticles. Issue 12 (21st March 2017)

Authors:: Zhao, Li Xia; Hijikata, Yuh; Irle, Stephan
Journal:: International journal of quantum chemistry
Issue:: Volume 117:Issue 12(2017)
Page Start:: n/a
Record Type:: Journal Article
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7. Cover Image, Volume 117, Issue 12. Issue 12 (5th June 2017)

Journal:: International journal of quantum chemistry
Issue:: Volume 117:Issue 12(2017)
Page Start:: n/a
Record Type:: Journal Article
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8. Improvement of initial guess via grid‐cutting for efficient grid‐based density functional calculations. Issue 19 (30th June 2016)

Authors:: Lim, Jaechang; Choi, Sunghwan; Kang, Sungwoo; Kim, Jaewook; Hong, Kwangwoo; Kim, Woo Youn
Journal:: International journal of quantum chemistry
Issue:: Volume 116:Issue 19(2016)
Page Start:: 1397
Record Type:: Journal Article
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9. Water exchange rates and mechanisms in tetrahedral [Be(H2O)4]2+ and [Li(H2O)4]+ complexes using DFT methods and cluster‐continuum models. Issue 19 (28th June 2016)

Authors:: Regueiro‐Figueroa, Martín; Esteban‐Gómez, David; Pujales‐Paradela, Rosa; Caneda‐Martínez, Laura; de Blas, Andrés; Platas‐Iglesias, Carlos
Journal:: International journal of quantum chemistry
Issue:: Volume 116:Issue 19(2016)
Page Start:: 1388
Record Type:: Journal Article
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10. On the HALA effect in the NMR carbon shielding constants of the compounds containing heavy p‐elements. Issue 19 (7th July 2016)

Authors:: Rusakov, Yu. Yu.; Rusakova, Irina L.; Krivdin, Leonid B.
Journal:: International journal of quantum chemistry
Issue:: Volume 116:Issue 19(2016)
Page Start:: 1404
Record Type:: Journal Article
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