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Comprehensive Study of Atomic and Molecular Physics Elisha Franks Comprehensive Study of Atomic and Molecular Physics "This page is Intentionally Left Blank" Comprehensive Study of Atomic and Molecular Physics Edited by Elisha Franks Comprehensive Study of Atomic and Molecular Physics Edited by Elisha Franks The publisher’s policy is to use permanent paper from mills that operate a sustainable forestry policy. Furthermore, the publisher ensures that the text paper and cover boards used have met acceptable environmental accreditation standards. Trademark Notice: Registered trademark of products or corporate names are used only for explanation and identification without intent to infringe. This book contains information obtained from authentic and highly regarded sources. Copyright for all individual chapters remain with the respective authors as indicated. A wide variety of references are listed. Permission and sources are indicated; for detailed attributions, please refer to the permissions page. Reasonable efforts have been made to publish reliable data and information, but the authors, editors and publisher cannot assume any responsibility for the validity of all materials or the consequences of their use. Published by University Publications, 5 Penn Plaza, 19th Floor, New York, NY 10001, USA © 2017 University Publications International Standard Book Number: 978-1-9789-2193-1 Copyright of this ebook is with University Publications, rights acquired from the original print publisher, NY Research Press. Contents Preface VII Chapter 1 Analysis of Water and Hydrogen Bond Dynamics at the Surface of an Antifreeze Protein 1 Yao Xu, Ramachandran Gnanasekaran, and David M. Leitner Chapter 2 Temperature and H/D Isotopic Effects in the IR Spectra of the Hydrogen Bond in Solid-State 2-Furanacetic Acid and 2-Furanacrylic Acid 7 Henryk T. Flakus and Anna Jarczyk-J¸edryka Chapter 3 An Analytic Analysis of the Diffusive-Heat-Flow Equation for Different Magnetic Field Profiles for a Single Magnetic Nanoparticle 24 Brenda Dana and Israel Gannot Chapter 4 Helmholtz Bright Spatial Solitons and Surface Waves at Power-Law Optical Interfaces 46 J. M. Christian, E. A. McCoy, G. S. McDonald, J. Sánchez-Curto, and P. Chamorro-Posada Chapter 5 The Effect of Nonnative Interactions on the Energy Landscapes of Frustrated Model Proteins 67 Mark T. Oakley, David J. Wales, and Roy L. Johnston Chapter 6 Proton Transfer Equilibria and Critical Behavior of H-Bonding 76 L. Sobczyk, B. Czarnik-Matusewicz, M. Rospenk, and M. Obrzud Chapter 7 Polymorphism, Hydrogen Bond Properties, and Vibrational Structure of 1H-Pyrrolo[3,2-h]Quinoline Dimers 86 Alexandr Gorski, Sylwester Gawinkowski, Roman Luboradzki, Marek Tkacz, Randolph P. Thummel, and Jacek Waluk Chapter 8 Effective Potential for Ultracold Atoms at the Zero Crossing of a Feshbach Resonance 97 N. T. Zinner Chapter 9 Transition Parameters for Doubly Ionized Lanthanum 106 Betül Karaçoban and Leyla Özdemir Chapter 10 Relativistic Time-Dependent Density Functional Theory and Excited States Calculations for the Zinc Dimer 121 Ossama Kullie __________________________ WORLD TECHNOLOGIES __________________________ Chapter 11 Millimeter-Wave Rotational Spectra of trans-Acrolein (Propenal) (CH2CHCOH): A DC Discharge Product of Allyl Alcohol (CH2CHCH2OH) Vapor and DFT Calculation 137 A. I. Jaman and Rangana Bhattacharya Chapter 12 The Effect of Nanoparticle Size on Cellular Binding Probability 146 Vital Peretz, Menachem Motiei, Chaim N. Sukenik, and Rachela Popovtzer Chapter 13 Electron-Pair Densities with Time-Dependent Quantum Monte Carlo 153 Ivan P. Christov Chapter 14 Multispark Discharge in Water as a Method of Environmental Sustainability Problems Solution 158 E. M. Barkhudarov, I. A. Kossyi, Yu. N. Kozlov, S. M. Temchin, M. I. Taktakishvili, and Nick Christofi Chapter 15 The Advantages of Not Entangling Macroscopic Diamonds at Room Temperature 170 Mark E. Brezinski Chapter 16 Energies, Fine Structures, and Hyperfine Structures of the 1s22snp 3P (n = 2–4) States for the Beryllium Atom 179 Chao Chen Chapter 17 Statistical Complexity of Low- and High-Dimensional Systems 185 Vladimir Ryabov and Dmitry Nerukh Chapter 18 A First-Principles-Based Potential for the Description of Alkaline Earth Metals 191 Johannes M. Dieterich, Sebastian Gerke, and Ricardo A.Mata Chapter 19 Uniformly Immobilizing Gold Nanorods on a Glass Substrate 199 Hadas Weinrib, Amihai Meiri, Hamootal Duadi, and Dror Fixler Permissions List of Contributors VI Contents __________________________ WORLD TECHNOLOGIES __________________________ Preface The field of physics is a vast and detailed one that has many sub-divisions that branch off in diverse directions. There has always been a part of the physical world that escapes our eyes and cannot really be explained through simple terms. The components of matter are minuscule and need especially devoted arenas of research and study to be understood. Atomic and molecular study is an essential part of this world of physics. Atomic physics is an area of study that focuses on the study of atoms in the manner of an isolated system of nucleus and electrons. Primarily focused on the arrangement of electrons around the nucleus, it also studies how these arrangements change. Molecular Physics on the other hand is a field of study that is focused on the physical properties of molecules. It looks at molecules as well as molecular dynamics and bonds. Both fields could be said to be closely related, but they also overlap with physical chemistry, chemical physics and theoretical chemistry. Both atomic and molecular physics are essentially concerned with the electronic structure of atoms and molecules and the dynamic processes through which these structures arrange themselves. The rapidly advancing research techniques bode well for the future of atomic and molecular physics. This book is an attempt to compile and collate all current and proposed research and data in the field of atomic and molecular physics. I am thankful to all those who’s hard work and effort went into these studies. I wish to personally thank all the contributing authors who shared their knowledge in this book and with me throughout the editing process. It was an honour working with you all. I also wish to thank my family who have always been my support system. Editor __________________________ WORLD TECHNOLOGIES __________________________ "This page is Intentionally Left Blank" __________________________ WORLD TECHNOLOGIES __________________________ Analysis of Water and Hydrogen Bond Dynamics at the Surface of an Antifreeze Protein Yao Xu, Ramachandran Gnanasekaran, and David M. Leitner Department of Chemistry and Chemical Physics Program, University of Nevada, Reno, NV 89557, USA Correspondence should be addressed to David M. Leitner,