(Q46501986)

22 December 2017

title

Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs (English)

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22 December 2017

author

John Kendrick

4

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22 December 2017

Sarah L. Price

7

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22 December 2017

Frank J J Leusen

5

object named as

Frank J J Leusen

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22 December 2017

Graeme M Day

object named as

Graeme M Day

2

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author name string

Panagiotis G Karamertzanis

1

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22 December 2017

Gareth W A Welch

3

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22 December 2017

Marcus A Neumann

6

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22 December 2017

language of work or name

English

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publication date

1 June 2008

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22 December 2017

Journal of Chemical Physics

published in

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22 December 2017

volume

128

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22 December 2017

issue

24

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22 December 2017

page(s)

244708

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22 December 2017

A major advance in crystal structure prediction

cites work

1 reference

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21 January 2018

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The thermal stability of lattice-energy minima of 5-fluorouracil: metadynamics as an aid to polymorph prediction

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21 January 2018

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Local-MP2 electron correlation method for nonconducting crystals

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1 reference

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21 January 2018

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1 reference

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21 January 2018

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A test of crystal structure prediction of small organic molecules

21 January 2018

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Crystal structure prediction of small organic molecules: a second blind test

21 January 2018

1 reference

Rationalization of Racemate Resolution: Predicting Spontaneous Resolution through Crystal Structure Prediction

21 January 2018

1 reference

Fast local-MP2 method with density-fitting for crystals. I. Theory and algorithms

21 January 2018

1 reference

Fast local-MP2 method with density-fitting for crystals. II. Test calculations and application to the carbon dioxide crystal

21 January 2018

1 reference

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1 reference

Hydrogen-bond geometry in organic crystals

21 January 2018

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/AR00105A004

5 March 2023

Identifiers

DOI

10.1063/1.2937446

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22 December 2017

1 reference

22 December 2017