Работы, на которые ссылается эта работа

Работ: 68

Работа: Syntheses, crystal structures, and DFT calculations of N'-(Pyridin-2-ylmethylene)nicotinohydrazide dihydrate and its copper complex

Crystal structure refinement withSHELXL
George M. Sheldrick
Статья2014Цитирований: 162
ABI
SHELXT– Integrated space-group and crystal-structure determination
George M. Sheldrick
Статья2014Цитирований: 119
ABI
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
Chengteh Lee, Weitao Yang, Robert G. Parr
Статья1988Цитирований: 84
ABI
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke
Статья1993Цитирований: 74
ABI
Hirshfeld surface analysis
Mark A. Spackman, Dylan Jayatilaka
Статья2008Цитирований: 61
ABI
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham
Статья1965Цитирований: 44
ABI
Без названия
ДругоеЦитирований: 39
ABI
Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces
Joshua J. McKinnon, Dylan Jayatilaka, Mark A. Spackman
Статья2007Цитирований: 35
ABI
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
R. Krishnan, J. Stephen Binkley, Rolf Seeger +1
Статья1980Цитирований: 29
ABI
Density-functional exchange-energy approximation with correct asymptotic behavior
Axel D. Becke
Статья1988Цитирований: 25
ABI
Structure validation in chemical crystallography
Anthony L. Spek
Статья2009Цитирований: 25
ABI
Patterns in Hydrogen Bonding: Functionality and Graph Set Analysis in Crystals
Joel Bernstein, R. Davis, Liat Shimoni +1
Статья1995Цитирований: 15
ABI
Vibrational Energy Distribution Analysis (VEDA): Scopes and limitations
Michał H. Jamróz
Статья2013Цитирований: 8
ABI
WinGXandORTEP for Windows: an update
Louis J. Farrugia
Статья2012Цитирований: 7
ABI
Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
Michael J. Frisch, John A. Pople, J. Stephen Binkley
Статья1984Цитирований: 7
ABI
Bonded-atom fragments for describing molecular charge densities
F. L. Hirshfeld
Статья1977Цитирований: 6
ABI
Visualisation and characterisation of voids in crystalline materials
Michael J. Turner, Joshua J. McKinnon, Dylan Jayatilaka +1
Статья2010Цитирований: 5
ABI
Crystal structure, Hirshfeld surfaces and DFT computation of NLO active (2E)-2-(ethoxycarbonyl)-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino] prop-2-enoic acid
Perumal Venkatesan, Subbiah Thamotharan, Andivelu Ilangovan +2
Статья2015Цитирований: 5
ABI
Quantitative analysis of intermolecular interactions in orthorhombic rubrene
Venkatesha R. Hathwar, Mattia Sist, Mads R. V. Jørgensen +6
Статья2015Цитирований: 4
ABI
Infrared Spectroscopy: Fundamentals and Applications
Barbara H. Stuart
Книга2004Цитирований: 4
ABI
Metal complexes of Schiff base: Preparation, characterization and antibacterial activity
Emad͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏ Yousif, Ahmed Majeed, Khulood W. Al-Sammarrae +3
Статья2013Цитирований: 3
ABI
Diaquabis(2-bromobenzoato-κO)bis(nicotinamide-κN1)zinc(II)
Tuncer Hökelek, Hakan Dal, B. Tercan +2
Статья2009Цитирований: 2
ABI
Introduction to spectroscopy : a guide for students of organic chemistry
Donald L. Pavia, Gary M. Lampman, George S. Kriz
Книга1996Цитирований: 2
ABI
Relativistic compact effective potentials and efficient, shared-exponent basis sets for the third-, fourth-, and fifth-row atoms
Walter J. Stevens, Morris Krauss, Harold Basch +1
Статья1992Цитирований: 2
ABI
New Developments in Molecular Orbital Theory
Clemens Roothaan
Статья1951Цитирований: 2
ABI

Работы, на которые ссылается эта работа

Crystal structure refinement with<i>SHELXL</i>

<i>SHELXT</i>– Integrated space-group and crystal-structure determination

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Density-functional thermochemistry. III. The role of exact exchange

Hirshfeld surface analysis

Self-Consistent Equations Including Exchange and Correlation Effects

Без названия

Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

Density-functional exchange-energy approximation with correct asymptotic behavior

Structure validation in chemical crystallography

Patterns in Hydrogen Bonding: Functionality and Graph Set Analysis in Crystals

Vibrational Energy Distribution Analysis (VEDA): Scopes and limitations

<i>WinGX</i>and<i>ORTEP for Windows</i>: an update

Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

Bonded-atom fragments for describing molecular charge densities

Visualisation and characterisation of voids in crystalline materials

Crystal structure, Hirshfeld surfaces and DFT computation of NLO active (2E)-2-(ethoxycarbonyl)-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino] prop-2-enoic acid

Quantitative analysis of intermolecular interactions in orthorhombic rubrene

Infrared Spectroscopy: Fundamentals and Applications

Metal complexes of Schiff base: Preparation, characterization and antibacterial activity

Diaquabis(2-bromobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i><sup>1</sup>)zinc(II)

Introduction to spectroscopy : a guide for students of organic chemistry

Relativistic compact effective potentials and efficient, shared-exponent basis sets for the third-, fourth-, and fifth-row atoms

New Developments in Molecular Orbital Theory