Practical Aspects of Computational Chemistry I
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Published By Springer Netherlands

9789400709188, 9789400709195

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Practical Aspects of Quantum Monte Carlo for the Electronic Structure of Molecules

Practical Aspects of Computational Chemistry I ◽

10.1007/978-94-007-0919-5_9 ◽

2011 ◽

pp. 255-292

Author(s):

Dmitry Yu. Zubarev ◽

Brian M. Austin ◽

William A. Lester

Keyword(s):

Monte Carlo ◽

Electronic Structure ◽

Quantum Monte Carlo ◽

Structure Of Molecules

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VCD Chirality Transfer: A New Insight into the Intermolecular Interactions

Practical Aspects of Computational Chemistry I ◽

10.1007/978-94-007-0919-5_15 ◽

2011 ◽

pp. 451-478 ◽

Author(s):

Jan Cz. Dobrowolski ◽

Joanna E. Rode ◽

Joanna Sadlej

Keyword(s):

Intermolecular Interactions ◽

Chirality Transfer ◽

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On the Electronic, Vibrational and Relativistic Contributions to the Linear and Nonlinear Optical Properties of Molecules

Practical Aspects of Computational Chemistry I ◽

10.1007/978-94-007-0919-5_5 ◽

2011 ◽

pp. 129-166

Author(s):

Aggelos Avramopoulos ◽

Heribert Reis ◽

Manthos G. Papadopoulos

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Linear And Nonlinear

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Towards Involvement of Interactions of Nucleic Acid Bases with Minerals in the Origin of Life: Quantum Chemical Approach

Practical Aspects of Computational Chemistry I ◽

10.1007/978-94-007-0919-5_21 ◽

2011 ◽

pp. 645-672

Author(s):

Andrea Michalkova ◽

Jerzy Leszczynski

Keyword(s):

Nucleic Acid ◽

Origin Of Life ◽

Quantum Chemical ◽

Nucleic Acid Bases ◽

Chemical Approach ◽

Quantum Chemical Approach ◽

The Origin Of Life

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Many-Body Brillouin-Wigner Theories: Development and Prospects

Practical Aspects of Computational Chemistry I ◽

10.1007/978-94-007-0919-5_2 ◽

2011 ◽

pp. 33-68

Author(s):

Ivan Hubač ◽

Stephen Wilson

Keyword(s):

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Computational Molecular Engineering for Nanodevices and Nanosystems

Practical Aspects of Computational Chemistry I ◽

10.1007/978-94-007-0919-5_12 ◽

2011 ◽

pp. 347-383

Author(s):

Norma L. Rangel ◽

Paola A. Leon-Plata ◽

Jorge M. Seminario

Keyword(s):

Molecular Engineering

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Relativistic Quantum Monte Carlo Method

Practical Aspects of Computational Chemistry I ◽

10.1007/978-94-007-0919-5_10 ◽

2011 ◽

pp. 293-317

Author(s):

Takahito Nakajima ◽

Yutaka Nakatsuka

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Quantum Monte Carlo ◽

Relativistic Quantum ◽

Quantum Monte Carlo Method

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Relativistic Effects in Chemistry and a Two-Component Theory

Practical Aspects of Computational Chemistry I ◽

10.1007/978-94-007-0919-5_4 ◽

2011 ◽

pp. 103-128

Author(s):

Maria Barysz

Keyword(s):

Relativistic Effects ◽

Component Theory ◽

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Electronic Structure of Solids and Surfaces with WIEN2k

Practical Aspects of Computational Chemistry I ◽

10.1007/978-94-007-0919-5_7 ◽

2011 ◽

pp. 191-207

Author(s):

Karlheinz Schwarz ◽

Peter Blaha

Keyword(s):

Electronic Structure

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Model Core Potentials in the First Decade of the XXI Century

Practical Aspects of Computational Chemistry I ◽

10.1007/978-94-007-0919-5_8 ◽

2011 ◽

pp. 209-254

Author(s):

Tao Zeng ◽

Mariusz Klobukowski

Keyword(s):

Model Core Potentials

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