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

Subject 541.28

1. 1H and 13C NMR spectra of Strychnos alkaloids: Selected NMR updates. Issue 19 (2nd July 2020)

Authors:: Semenov, Valentin A.; Samultsev, Dmitry O.; Krivdin, Leonid B.
Journal:: International journal of quantum chemistry
Issue:: Volume 120:Issue 19(2020)
Page Start:: n/a
Record Type:: Journal Article
View Content:: Available online (eLD content is only available in our Reading Rooms) ↗

2. 3D‐QSAR studies and molecular design on a novel series of pyrimidine benzimidazoles as Lck inhibitors. Issue 9 (26th February 2014)

Authors:: Xie, Wen Guo; Fang, Dan Qing; Wu, Wen Juan; Zhang, Rong; Zeng, Guo Hua; Ma, Shao Jie; Wu, Jing Heng; Shen, Yong
Journal:: International journal of quantum chemistry
Issue:: Volume 114:Issue 9(2014:May 05)
Page Start:: 598
Record Type:: Journal Article
View Content:: Available online (eLD content is only available in our Reading Rooms) ↗

3. A 3‐D bonding perspective of the factors influencing the relative stability of the S1/S0 conical intersections of the penta‐2, 4‐dieniminium cation (PSB3). Issue 11 (14th January 2019)

Authors:: Bin, Xin; Momen, Roya; Xu, Tianlv; Kirk, Steven R.; Filatov, Michael; Jenkins, Samantha
Journal:: International journal of quantum chemistry
Issue:: Volume 119:Issue 11(2019)
Page Start:: n/a
Record Type:: Journal Article
View Content:: Available online (eLD content is only available in our Reading Rooms) ↗

4. A basis set superposition error‐free second‐order perturbation theory from Hermitian chemical Hamiltonian approach self‐consistent field canonic orbitals. Issue 8 (26th July 2021)

Authors:: Salvador, Pedro; Mayer, István
Other Names:: Surján Péter R. guestEditor.; Szabados Agnes guestEditor.; Lendvay György guestEditor.
Journal:: International journal of quantum chemistry
Issue:: Volume 122:Issue 8(2022)
Page Start:: n/a
Record Type:: Journal Article
View Content:: Available online (eLD content is only available in our Reading Rooms) ↗

5. A bonding evolution theory study of the reaction between methylidyne radical, CH(X2Π), and cyclopentadiene, C5H6. Issue 11 (1st February 2022)

Authors:: Andrés, Juan; Safont, Vicent S.; Oliva, Mónica; Caster, Kacee L.; Goulay, Fabien
Journal:: International journal of quantum chemistry
Issue:: Volume 122:Issue 11(2022)
Page Start:: n/a
Record Type:: Journal Article
View Content:: Available online (eLD content is only available in our Reading Rooms) ↗

6. A Chemist's Guide to Density Functional Theory. ([2015?])

Authors:: Koch, Wolfram; Holthausen, Max C
Record Type:: Book
Extent:: 1 online resource, illustrations
View Content:: Available online (eLD content is only available in our Reading Rooms) ↗

7. A comparative DFT study on the mechanism of olefin epoxidation catalyzed by substituted binuclear peroxotungstates ([SeO4WO(O2)2MO(O2)2]n− (M = TiIV, VV, TaV, MoVI, WVI, TcVII, and ReVII)). Issue 7 (3rd December 2013)

Authors:: Zhu, Bo; Lang, Zhong Ling; Yan, Li Kai; Janjua, Muhammad Ramzan Saeed Ashraf; Su, Zhong Min
Journal:: International journal of quantum chemistry
Issue:: Volume 114:Issue 7(2014:Apr. 05)
Page Start:: 458
Record Type:: Journal Article
View Content:: Available online (eLD content is only available in our Reading Rooms) ↗

8. A comparative multi‐reference configuration interaction study of the low‐lying states of two thione isomers of thiophenol. Issue 16 (11th June 2020)

Authors:: Lima, Filipe Belarmino de; Pereira Rodrigues, Gessenildo; de Lucena Júnior, Juracy Regis; Ventura, Elizete; Fausto, Rui; Reva, Igor; do Monte, Silmar Andrade
Journal:: International journal of quantum chemistry
Issue:: Volume 120:Issue 16(2020)
Page Start:: n/a
Record Type:: Journal Article
View Content:: Available online (eLD content is only available in our Reading Rooms) ↗

9. A comparative review of 50 analytical representation of potential energy interaction for diatomic systems: 100 years of history. Issue 24 (27th August 2021)

Authors:: Araújo, Judith P.; Ballester, Maikel Y.
Journal:: International journal of quantum chemistry
Issue:: Volume 121:Issue 24(2021)
Page Start:: n/a
Record Type:: Journal Article
View Content:: Available online (eLD content is only available in our Reading Rooms) ↗

10. A comparative study of some lithium and hydrogen‐bonded complexes: Ab initio and QTAIM studies. Issue 6 (5th November 2013)

Authors:: Zhang, Xueying; Li, Xiaoyan; Zeng, Yanli; Meng, Lingpeng; Zheng, Shijun
Journal:: International journal of quantum chemistry
Issue:: Volume 114:Issue 6(2014:Mar. 15)
Page Start:: 400
Record Type:: Journal Article
View Content:: Available online (eLD content is only available in our Reading Rooms) ↗