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Computational Chemistry (Oxford Chemistry Primers)

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Review

`This is a very readable account of a subject which attempts to predict molecular structure, properties and reactivity using computational methods alone.'Aslib Book Guide, Vol. 60, No. 8, August 1995

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About the Author

Guy H. Grant is at University College, Dublin. W. Graham Richards is at University of Oxford.

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Product details

Series: Oxford Chemistry Primers (Book 29)

Paperback: 96 pages

Publisher: Oxford University Press; 1 edition (May 11, 1995)

Language: English

ISBN-10: 019855740X

ISBN-13: 978-0198557401

Product Dimensions:

9.6 x 0.2 x 7.5 inches

Shipping Weight: 7 ounces (View shipping rates and policies)

Average Customer Review:

4.2 out of 5 stars

3 customer reviews

Amazon Best Sellers Rank:

#1,611,494 in Books (See Top 100 in Books)

What this book does, it does reasonably well. Its real strength is in the basic quantum mechanical principles that bind atoms and that cause molecualr interactions.The authors carry this forward, using concise mathematics, to derive electron distributions and small-scale molecular conformations. The third chapter addresses conformations of larger molecules, starting with rigorous computations of each conformation's energy, then backing down to some approximation techniques. The fourth chapter packs in a number of concepts, prehaps too many: solvation, statistical mechanics, and a little bit of molecular mechanics. Chapter five skims over protein and DNA folding, and chapter 6 discusses small-molecule (drug) interactions with proteins.Although the authors start the book noting the intense computational requirements, they never give explicit techniques for performing those computations efficiently. The math is the abstract form, close to the quantum mechanics, and rarely the form of a practical computation. In fact, the math is abstract enough that I'd be hard pressed to come up with real limits of integration in many cases. The authors make some effort to use their equations to support intuitive understanding, but sometimes focus too much on the formulas themselves instead of their meanings.I can't fault the book for being written in 1995 - by the standards of computational chemistry, that's a bit dated now. Still, almost all of its references date from 1990 or earlier. They weren't the freshest even when the book was written.The book does give a broad view, high-level survey of the quantum mechanical view of chemistry. It omits many more modern practices though: finite element approximations to molecule structure, grammar-based analysis of RNA folding, and Markov models for structure prediction. It also omits the knowledge needed to reduce abstract physics to practical calculations. Use this as an introductory survey, but use other books for knowledge you can put to work.

This small booklet is an excellent introduction to computational chemistry for the novice. Provides an easy to read, description of the field, its methods, applications and utilization. Covers everything: 'ab initio' quantum mechanics, molecular mechanics and dynamics, modelling of biological macromolecules with a short introduction to sequence analysis, QSAR and computational pharmacology.While it won't provide an in-depth view of the methods, it manages to convey enough detail to understand the basics. A must have for anyone desiring to enter the exciting field of Molecular Modelling.

Good to get an introduction to the topic. Easy to read and follow. Not good for a deep understanding nor advanced course.

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Download PDF , by Barry Strauss

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Product details

File Size: 33162 KB

Print Length: 432 pages

Publisher: Simon & Schuster (March 5, 2019)

Publication Date: March 5, 2019

Sold by: Simon and Schuster Digital Sales Inc

Language: English

ASIN: B07GNRKJWT

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I am the ultimate lay reader when it comes to the history of Rome. My knowledge of the emperors is pretty much limited to the Bible. (Caesar Augustus and the census!) So I was happy to get this book to read. Author Barry Strauss has approached his history through profiles of ten emperors (skipping over some of those with brief reigns): Augustus, Tiberius, Nero, Vespasian, Trajan, Hadrian, Marcus Aurelius, Septimius Severus, Diocletian and Constantine.So far, I've only read as far as the first three emperors. Mr. Strauss's book is a dense history that requires close reading. All those complicated names! It will take a while to get through the book, but I think the rest of the chapters will be similar in text and tone to those I've read. I appreciate the author's intent to bring color and life to each of the ten rulers. Otherwise, they all would blend together and be indistinguishable from one another.The one thing they all had in common? "From beginning to end, the Roman emperors resorted to force," he writes. "They rarely hesitated to have rivals and dissidents killed. They depended on the army, which conquered the empire, defended it, and put down revolt with brutality." It's this violence that I remember from my sparse history lessons -- Nero and the blazing human torches, gladiator games to the death, prisoners ripped apart by wild animals. These profiles address more fully the whole person, although, admittedly, it's tough to care about them once the violence is brought up.The one thing I would have wished for would have been more detailed scene setting and explanation of places and events. The profiles are pretty much entirely focused on the caesars' characters, with everything else taking a back seat. For example, when the author writes that Nero loved "games," what does he mean? I have a vague idea, but would have liked to hear what the games were exactly, what the venue looked like, what it cost people to get in -- that sort of thing. As another example, the Roman Senate is frequently mentioned, but I would have liked to know how, when and where it met, what laws it set and what it was responsible for, how it was viewed by the public. And, finally, I would have appreciated more direct translations of written material. Most often, the author paraphrases his source material, which created a distance for me that I would have liked to overcome with the immediacy of quotations.

Ancient Rome has never been more popular.I’m a journalist in my 60s whose professional specialty is covering cultural diversity, books and films. I vividly remember the swords-and-sandals Hollywood epics of the mid 20th century and also the host of B-list movies that sprang from the ancient world in that era. In 2019, today’s Roman resurgence in popular media is a lot more graphic and also makes far more detailed historical claims.As of this book’s 2019 release—we’ve got The Smithsonian Channel airing the series, Eight Days that Made Rome, which features lots of historians and on-site footage. Amazon is streaming the fictional Britannia series. Netflix is streaming the blood-drenched dramatic series called simply Roman Empire. These days, no self-respecting cable service wants to be caught without a Roman series for its viewers. And I could go on and on, listing other cable services that routinely air shows about Rome from the Travel Channel to Discovery.So, that’s my first point in this review: The emperors covered in this book pop up regularly in those popular TV shows—and in world news headlines on a daily basis. The day I am posting this review, The Times of India carries a headline comparing a controversial politician to Emperor Nero. The Australian Broadcasting Company has a news analysis of political assassinations today—comparing them with ancient Rome. And, also today, the UK Independent newspaper is telling readers in a headline: What should be done in the Middle East? Ask the Romans.This book is timely! That may sound odd about a book covering events two millennia ago, but it’s true.There’s another reason to welcome Barry Strauss’s new book—and that involves the millions of small groups that meet each week in congregations nationwide. These groups have all kinds of names, including Sunday School, or Bible Study, or Prayer Group, or Men’s Group. What they have in common are regular meetings and, often, these groups either discuss the Bible—or agree to read and discuss other books related Christianity. Those are millions of men and women with an ongoing interest in what happened in the Roman Empire, the era of the New Testament and the early church.Then, is this book too shallow? My answer: No!I’m a journalist who has reported from Rome on a number of occasions, so I already know a lot about these Caesars. I was curious to see how Strauss is summing up their lives—based on the state of historical research in 2019. So, I read his entire book in two evenings, thoroughly enjoying this refreshing tour of this tumultuous era.If you consider Strauss’s own biography closely, then you know he’s a top scholar, based at Cornell. He could have devoted his career to peer-reviewed volumes read by a small handful of historians. Instead, over many years, Strauss has published great books with Simon and Schuster that are a pleasure for general readers. Personally, I’ve read and kept on my shelf his earlier books on The Trojan War and The Battle of Salamis. Curious about his sources? Want to go deeper into the research? There are 50 pages of end notes you could sift through at your leisure, if you are so inclined. But he doesn’t clutter every page with a cascade of these references. He lets us enjoy ourselves with the narrative.Overall, his new book feels like an invitation to sit in a classroom with a popular teacher who will carry us through dramatic events as a sweeping storyteller. Along the way, he pauses to sort out the conflicting opinions we hear from other sources about this era. Sometimes he debunks myths. Sometimes he admits that there’s really no way of settling a particular dispute, at the moment.His aim is always to engage us. As a veteran author, he understands that our time is limited and we are torn between a myriad of distractions. So, Strauss has focused here on emperors who crop up frequently in news, in popular TV shows and in Christian discussion groups. I was particularly impressed, for example, at his balanced overview of Constantine, the so-called “first Christian emperor.” Many voices today ask: So, was Constantine really a Christian? Or was he faking it for political advantage? Curious about that? Get a copy of Strauss’s book and find out how he sifts the evidence.Ultimately, there’s a very good chance, if you do get a copy, that you’ll wind up talking with friends about it in coming weeks. And that’s a very strong endorsement for any new book.

I never thought I'd be saying this, but this book isn't clinical enough. There is a certain tendency to romanticize rulers (the longer ago they ruled, the more romanticized they often are), but Strauss goes beyond the admittedly few writers I've read. There are also more assumptions than I'm accustomed to. Things like, "[Tiberius] was good at hiding what he felt when he had to," remind me that a lot of this stuff is completely unverifiable and you just sort of have to take the author's word for it and go along for the ride.This is clearly well researched and Strauss is absolutely an expert, I just wish there was a happy medium between what I read of the book and my western civ textbooks in high school. I love a good story, but I also want to feel like I'm being taught something, if that makes sense.The great thing about this book, though, is that you can skip around. It doesn't have to be read especially quickly or in any particular order. You can simply say, "I think i want to know more about Tiberius" and crack open the appropriate chapter on him.Overall, I'd say this is great entry level history and it is specific enough to appeal to many people looking to dip their toe into the massive pool that is the Roman emperors.

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Review

"I told Masaki that it was impossible to solve her puzzles. She grabbed my pencil and finished it in a minute. 'More practice', she said." - Mildred T. WalkerKaren J. Bun - "This Sudoku book is definitely not for ordinary people..."

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From the Author

Konnichiwa!My name is Masaki Hoshiko.In most of my Sudoku books, I've designed the puzzles to be tough and challenging for most people. (But not impossible to solve!)Everyone's ability to solve Sudoku is different, please do leave a review on how you feel about the difficulty so that I can improve on the next book.Most of all, please have fun and enjoy solving the puzzles!(Don't tear up the book, I'm sure you will find the answers to them!)

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Product details

Paperback: 304 pages

Publisher: Independently published (March 5, 2019)

Language: English

ISBN-10: 1798843501

ISBN-13: 978-1798843505

Product Dimensions:

5 x 0.7 x 8 inches

Shipping Weight: 14.2 ounces (View shipping rates and policies)

Average Customer Review:

5.0 out of 5 stars

1 customer review

Amazon Best Sellers Rank:

#89,495 in Books (See Top 100 in Books)

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