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Review

2020

Review

2020

With small quantum computers becoming a reality, first applications are eagerly sought. Quantum chemistry presents a spectrum of… Expand

Review

2016

Review

2016

The fact that a new text book introducing the essentials of computational chemistry contains more than 500 pages shows… Expand

Review

2006

Review

2006

One-Electron Equations for Embedded Electron Density: Challenge for Theory and Practical Payoffs in Multi-Level Modeling of… Expand

Review

2005

Review

2005

Computing Technologies, Theories, and Algorithms. The Making of 40 Years and More of Theoretical and Computational. A Dynamical… Expand

Highly Cited

2001

Highly Cited

2001

Preface. Acknowledgments. Symbols Used in This Book. Introduction. BASIC TOPICS. Fundamental Principles. Ab initio Methods… Expand

Highly Cited

2000

Highly Cited

2000

"Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive… Expand

Review

2000

Review

2000

NWChem is the software package for computational chemistry on massively parallel computing systems developed by the High… Expand

Highly Cited

1998

Highly Cited

1998

Preface to the First Edition. Preface to the Second Edition. 1. Introduction. 2 Force Field Methods. 3. Electronic Structure… Expand

Highly Cited

1998

Highly Cited

1998

Highly Cited

1996

Highly Cited

1996

A role for electronic structure databases in assisting users of quantum chemistry applications select better model parameters is… Expand