Why many semiempirical molecular orbital theories fail for liquid water and how to fix them

E-ISSN： 1096-987x|36|12|934-939

ISSN： 0192-8651

Source： JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol.36, Iss.12, 2015-05, pp. : 934-939

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

The method of (not so) ordinary least squares: what can go wrong and how to fix them

By Banerji J.

Contemporary Physics, Vol. 52, Iss. 3, 2011-05 ,pp. : 181-195

Taylor & Francis Ltd

Access to resources Recommend Favorite

Global minima of transition metal clusters described by Finnis-Sinclair potentials: A comparison with semi-empirical molecular orbital theory

By Elliott J. A.

Philosophical Magazine, Vol. 89, Iss. 34-36, 2009-12 ,pp. : 3311-3332

Taylor & Francis Ltd

Access to resources Recommend Favorite

Nozoe Autograph Books: Personal and Professional Reflections

THE CHEMICAL RECORD (ELECTRONIC), Vol. 14, Iss. 2, 2014-04 ,pp. : 334-357

John Wiley & Sons Inc

Access to resources Recommend Favorite

Molecular-Orbital Structure in Be Isotopes

By Itagaki Naoyuki Okabe Shigeto Ikeda Kiyomi

Acta Physica Hungarica A, Vol. 13, Iss. 1-3, 2001-10 ,pp. : 153-156

Akademiai Kiado

Access to resources Recommend Favorite

How many -bounded subgroups?

By Comfort W.W. van Mill J.

Topology and its Applications, Vol. 77, Iss. 2, 1997-06 ,pp. : 105-113

Elsevier

Access to resources Recommend Favorite